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Impurities and reference standards

Emd 29645

Also known as EMD 29 645, Sodium (6R-trans)-3-(acetoxymethyl)-7-((3,5-dichloro-4-oxo-1(4H)-pyridyl)acetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, Cefazedone Impurity 6 sodium salt

CAS 67763-91-1Formula C17H14Cl2N3NaO7SMolar mass 498.28 g/molEC 267-046-3
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Emd 29645 chemical structure, C17H14Cl2N3NaO7S, CAS 67763-91-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
67763-91-1
Formula
C17H14Cl2N3NaO7S
Molar mass
498.28 g/mol
EC number
267-046-3
HS code
294190
Category
Impurities and reference standards

What is Emd 29645?

Plain description, key identifiers and synonyms

Emd 29645 is a chemical substance with the molecular formula C17H14Cl2N3NaO7S and a molar mass of 498.28 g/mol. Its CAS registry number is 67763-91-1. The IUPAC name is sodium (6R,7R)-3-(acetyloxymethyl)-7-[[2-(3,5-dichloro-4-oxo-1-pyridinyl)acetyl]amino]-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
sodium (6R,7R)-3-(acetyloxymethyl)-7-[[2-(3,5-dichloro-4-oxo-1-pyridinyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS number
67763-91-1 CAS number cross-checked
EC number
267-046-3
Molecular formula
C17H14Cl2N3NaO7S
UNII
7R4VJ2KD8N
InChIKey
GGPBSYNZYHEHSG-VQZRABBESA-M
InChI
InChI=1S/C17H15Cl2N3O7S.Na/c1-7(23)29-5-8-6-30-16-12(15(26)22(16)13(8)17(27)28)20-11(24)4-21-2-9(18)14(25)10(19)3-21;/h2-3,12,16H,4-6H2,1H3,(H,20,24)(H,27,28);/q;+1/p-1/t12-,16-;/m1./s1
Canonical SMILES
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)Cn3cc(Cl)c(=O)c(Cl)c3)C2SC1.[Na+]
Isomeric SMILES
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CN3C=C(C(=O)C(=C3)Cl)Cl)SC1)C(=O)[O-].[Na+]

Synonyms

  • EMD 29 645
  • Sodium (6R-trans)-3-(acetoxymethyl)-7-((3,5-dichloro-4-oxo-1(4H)-pyridyl)acetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
  • Cefazedone Impurity 6 sodium salt
  • Sodium (6R,7R)-3-[(acetyloxy)methyl]-7-[2-(3,5-dichloro-4-oxopyridin-1(4H)-yl)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • sodium, (6R,7R)-3-(acetyloxymethyl)-7-[[2-(3,5-dichloro-4-oxopyridin-1-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-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
498.28 g/molcalc.
Exact mass
496.9827 Dacalc.
LogP (octanol/water)
-3.87calc.
Topological polar surface area
137.8 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
6calc.
Heavy atoms
31calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(Cn1ccc(=O)cc1)NC1C(=O)N2C=CCSC12

O=C(Cn1ccc(=O)cc1)NC1C(=O)N2C=CCSC12

3 rings, 20 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Emd 29645 suppliers

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Emd 29645 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 Emd 29645 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
  1. China39.7%
  2. United States11.3%
  3. Switzerland * partner reported10.9%
Top importers
  1. Italy15.0%
  2. India * partner reported12.0%
  3. China8.7%

* Partner reported figures, a lower bound.

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

The HS code shown for Emd 29645 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Emd 29645, based on the data on this page

What is Emd 29645?

Emd 29645 is a chemical substance with the molecular formula C17H14Cl2N3NaO7S and a molar mass of 498.28 g/mol. Its CAS registry number is 67763-91-1. The IUPAC name is sodium (6R,7R)-3-(acetyloxymethyl)-7-[[2-(3,5-dichloro-4-oxo-1-pyridinyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

What is the CAS number of Emd 29645?

The CAS registry number of Emd 29645 is 67763-91-1.

What is the molecular formula and weight of Emd 29645?

The molecular formula of Emd 29645 is C17H14Cl2N3NaO7S and its molar mass is 498.28 g/mol.

Is Emd 29645 hazardous?

No GHS hazard classification for Emd 29645 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Emd 29645?

Emd 29645 is usually classified under HS code 294190 (Antibiotics, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Emd 29645?

Post a free request on CompoundList and suppliers of Emd 29645 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Emd 29645?

Suppliers quote Emd 29645 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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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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