7-Mac (CAS 56610-72-1): properties, price, suppliers and safety

What is 7-Mac?

Plain description, key identifiers and synonyms

7-Mac is a chemical substance with the molecular formula C24H24N6O4S2 and a molar mass of 524.63 g/mol. Its CAS registry number is 56610-72-1. The IUPAC name is benzhydryl (6R,7S)-7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: benzhydryl (6R,7S)-7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS number: 56610-72-1 CAS number cross-checked
EC number: 611-404-7
Molecular formula: C₂₄H₂₄N₆O₄S₂
UNII: 7SSG9SDN2A
MDL number: MFCD08704705
InChIKey: QGXKMJVEULWQSB-VWNXMTODSA-N
InChI: InChI=1S/C24H24N6O4S2/c1-29-23(26-27-28-29)36-14-17-13-35-22-24(25,33-2)21(32)30(22)18(17)20(31)34-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19,22H,13-14,25H2,1-2H3/t22-,24+/m1/s1
Canonical SMILES: COC1(N)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CSC21
Isomeric SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(N)OC)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Synonyms

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, diphenylmethyl ester, (6R,7S)-
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, diphenylmethyl ester, (6R-cis)-
Diphenylmethyl 7beta-amino-7alpha-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-3-cephem-4-carboxylate
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, diphenylmethyl ester, (6R,7S)-
Diphenylmethyl 7beta-amino-7alpha-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylate
(6R,7S)-Benzhydryl 7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
benzhydryl (6R,7S)-7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Cefmetazole Impurity 23
7beta-Amino-7alpha-methoxy-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid Diphenylmethyl Es
Benzhydryl (6R,7S)-7-Amino-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Cefmetazole Impurity 8, <br>7-MAC
7b-Amino-7a-methoxy-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid Diphenylmethyl Ester
(6r,7s)-benzhydryl-7-amino-7-methoxy-3-((1-methyl-1h-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-aza-bicyclo [4.2.0]oct-2-ene-2-carboxylate
7-beta-Amino-7-alpha-methoxy-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid Diphenylmethyl Ester
Diphenylmethyl (6R,7S)-7-Amino-7-methoxy-3-[(1-methyl-1H-tetrazol-5-yl)thiomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Diphenylmethyl (6R,7S)-7-amino-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Diphenylmethyl 7|_-amino-7|_-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-3-cephem-4-carboxylate
Diphenylmethyl 7beta-Amino-7alpha-methoxy-3-[(1-methyl-1H-tetrazol-5-yl)thiomethyl]-3-cephem-4-carboxylate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	524.63 g/molcalc.
Exact mass	524.13 Dacalc.
LogP (octanol/water)	2.11calc.
Topological polar surface area	125.5 Å²calc.
Hydrogen bond donors	1calc.
Hydrogen bond acceptors	10calc.
Rotatable bonds	8calc.
Heavy atoms	36calc.
Rings	5calc.
Aromatic rings	3calc.
Fraction sp3 carbons	0.29calc.
Formal charge	0calc.
Stereocentres	2calc.
Lipinski rule of five	Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

O=C(OC(c1ccccc1)c1ccccc1)C1=C(CSc2nnn[nH]2)CSC2CC(=O)N12

5 rings, 32 atoms.

8 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word

Danger

Serious health hazard

Hazard statements

H317May cause an allergic skin reaction.
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.

Precautionary statements (15)

P233Keep container tightly closed.
P260Do not breathe dust, fume, gas, mist, vapours or spray.
P261Avoid breathing dust, fume, gas, mist, vapours or spray.
P271Use only outdoors or in a well-ventilated area.
P272Contaminated work clothing should not be allowed out of the workplace.
P280Wear protective gloves, protective clothing, eye protection and face protection.
P284In case of inadequate ventilation wear respiratory protection.
P302 + P352If on skin: Wash with plenty of water.
P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
P321Specific treatment (see supplemental first aid instructions on the label).
P333 + P317If skin irritation or rash occurs: Get medical help.
P342 + P316If experiencing respiratory symptoms: Get emergency medical help immediately.
P362 + P364Take off contaminated clothing. And wash it before reuse.
P403Store in a well-ventilated place.
P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

7-Mac suppliers

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7-Mac price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 7-Mac is traded under.

HS 2941.90Indicative HS code

Antibiotics, other

World exports in 2024

$6.39B

+2.3% vs 2023, imports $6.97B

2019 to 2024

Top exporters

China39.7%
United States11.3%
Switzerland * partner reported10.9%

Top importers

Italy15.0%
India * partner reported12.0%
China8.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for 7-Mac is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

Benzhydryl 7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chemical structure, C24H24N6O5S

(6R,7R)-Benzhydryl 7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)-thio)methyl)-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chemical structure, C24H24N6O5S, CAS 66510-99-4

Benzhydryl (7R)-7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chemical structure, C24H24N6O5S

Benzhydryl (6S,7S)-7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chemical structure, C24H24N6O5S

7-Amino-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, diphenylmethyl ester chemical structure, C23H22N6O3S2

(6R,7R)-Benzhydryl 7-amino-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chemical structure, C23H22N6O3S2, CAS 53090-86-1

Benzhydryl (6R,7S)-7-(butanoylamino)-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chemical structure, C28H30N6O5S2, CAS 75072-09-2

Cefmetazole diphenylmethyl ester chemical structure, C28H27N7O5S3

Cefmetazole impurity 24 chemical structure, C28H27N7O5S3, CAS 56796-19-1

Benzhydryl (7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chemical structure, C28H27N7O5S3

Same formula isomers

Different compounds that share this molecular formula

All isomers

N-(4-Acetylphenyl)-2-({3-[2-(4-methylbenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-B]pyridazin-6-YL}sulfanyl)acetamide chemical structure, C24H24N6O4S2, CAS 872998-06-6

N-(4-Acetylphenyl)-2-({3-[2-(4-methylbenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-B]pyridazin-6-YL}sulfanyl)acetamide872998-06-6C₂₄H₂₄N₆O₄S₂

2-(4-Methoxyphenyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)acetamide chemical structure, C24H24N6O4S2, CAS 309969-57-1

2-(4-Methoxyphenyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)acetamide309969-57-1C₂₄H₂₄N₆O₄S₂

N-((4-(4-Ethoxyphenyl)-5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-3-methoxybenzamide chemical structure, C24H24N6O4S2, CAS 309968-95-4

N-((4-(4-Ethoxyphenyl)-5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-3-methoxybenzamide309968-95-4C₂₄H₂₄N₆O₄S₂

N-((4-(4-Ethoxyphenyl)-5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-methoxybenzamide chemical structure, C24H24N6O4S2, CAS 309940-51-0

N-((4-(4-Ethoxyphenyl)-5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-methoxybenzamide309940-51-0C₂₄H₂₄N₆O₄S₂

N-(5-((2-((4-Acetamidophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide chemical structure, C24H24N6O4S2, CAS 921147-64-0

N-(5-((2-((4-Acetamidophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide921147-64-0C₂₄H₂₄N₆O₄S₂

3,4-Dimethoxy-N-[[4-methyl-5-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide chemical structure, C24H24N6O4S2, CAS 694468-12-7

3,4-Dimethoxy-N-[[4-methyl-5-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide694468-12-7C₂₄H₂₄N₆O₄S₂

Frequently asked questions

Quick answers about 7-Mac, based on the data on this page

What is 7-Mac?

7-Mac is a chemical substance with the molecular formula C24H24N6O4S2 and a molar mass of 524.63 g/mol. Its CAS registry number is 56610-72-1. The IUPAC name is benzhydryl (6R,7S)-7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

What is the CAS number of 7-Mac?

The CAS registry number of 7-Mac is 56610-72-1.

What is the molecular formula and weight of 7-Mac?

The molecular formula of 7-Mac is C24H24N6O4S2 and its molar mass is 524.63 g/mol.

Is 7-Mac hazardous?

7-Mac carries the GHS signal word "Danger". Main hazards: may cause an allergic skin reaction, may cause allergy or asthma symptoms or breathing difficulties if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 7-Mac?

7-Mac is usually classified under HS code 294190 (Antibiotics, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 7-Mac?

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What is the price of 7-Mac?

Suppliers quote 7-Mac on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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7-Mac

Key facts

What is 7-Mac?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

7-Mac suppliers

7-Mac price

Uses and applications

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is 7-Mac?

What is the CAS number of 7-Mac?

What is the molecular formula and weight of 7-Mac?

Is 7-Mac hazardous?

What is the HS code of 7-Mac?

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Key facts

What is 7-Mac?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

7-Mac suppliers

7-Mac price

Uses and applications

Regulatory status

HS code and trade data

Global trade

Related chemicals

Similar structures

Same formula isomers

Frequently asked questions

What is 7-Mac?

What is the CAS number of 7-Mac?

What is the molecular formula and weight of 7-Mac?

Is 7-Mac hazardous?

What is the HS code of 7-Mac?

Where can I buy 7-Mac?

What is the price of 7-Mac?

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