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Heterocyclic compounds

Emd 29946

Also known as EMD 29 946

CAS 67763-92-2Formula C17H14Cl2N7NaO5S2Molar mass 554.37 g/mol
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Emd 29946 chemical structure, C17H14Cl2N7NaO5S2, CAS 67763-92-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
67763-92-2
Formula
C17H14Cl2N7NaO5S2
Molar mass
554.37 g/mol
HS code
294190
Category
Heterocyclic compounds

What is Emd 29946?

Plain description, key identifiers and synonyms

Emd 29946 is a chemical substance with the molecular formula C17H14Cl2N7NaO5S2 and a molar mass of 554.37 g/mol. Its CAS registry number is 67763-92-2. The IUPAC name is sodium (6R,7R)-7-[[2-(3,5-dichloro-4-oxo-1-pyridinyl)acetyl]amino]-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
sodium (6R,7R)-7-[[2-(3,5-dichloro-4-oxo-1-pyridinyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS number
67763-92-2 CAS number cross-checked
Molecular formula
C17H14Cl2N7NaO5S2
InChIKey
BFCPNQWBMWYLPX-GPKQSYPGSA-M
InChI
InChI=1S/C17H15Cl2N7O5S2.Na/c1-24-17(21-22-23-24)33-6-7-5-32-15-11(14(29)26(15)12(7)16(30)31)20-10(27)4-25-2-8(18)13(28)9(19)3-25;/h2-3,11,15H,4-6H2,1H3,(H,20,27)(H,30,31);/q;+1/p-1/t11-,15-;/m1./s1
Canonical SMILES
Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)C(NC(=O)Cn3cc(Cl)c(=O)c(Cl)c3)C2SC1.[Na+]
Isomeric SMILES
CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CN4C=C(C(=O)C(=C4)Cl)Cl)SC2)C(=O)[O-].[Na+]

Synonyms

  • EMD 29 946

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
554.37 g/molcalc.
Exact mass
552.9773 Dacalc.
LogP (octanol/water)
-4.12calc.
Topological polar surface area
155.1 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
7calc.
Heavy atoms
34calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
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

Murcko scaffold of this chemical, O=C(Cn1ccc(=O)cc1)NC1C(=O)N2C=C(CSc3nnn[nH]3)CSC12

O=C(Cn1ccc(=O)cc1)NC1C(=O)N2C=C(CSc3nnn[nH]3)CSC12

4 rings, 27 atoms.

No other chemical in our database has 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 29946 suppliers

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Emd 29946 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 29946 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 29946 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Emd 29946, based on the data on this page

What is Emd 29946?

Emd 29946 is a chemical substance with the molecular formula C17H14Cl2N7NaO5S2 and a molar mass of 554.37 g/mol. Its CAS registry number is 67763-92-2.

What is the CAS number of Emd 29946?

The CAS registry number of Emd 29946 is 67763-92-2.

What is the molecular formula and weight of Emd 29946?

The molecular formula of Emd 29946 is C17H14Cl2N7NaO5S2 and its molar mass is 554.37 g/mol.

Is Emd 29946 hazardous?

No GHS hazard classification for Emd 29946 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 29946?

Emd 29946 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 29946?

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What is the price of Emd 29946?

Suppliers quote Emd 29946 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

Practical guides that help when you source, ship or handle Emd 29946

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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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