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Details

Stereochemistry MIXED
Molecular Formula C16H17N3O7S2
Molecular Weight 427.452
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (6R,7S)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[2-(thiophen-3-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SMILES

COC2(NC(=O)CC1=CSC=C1)C3SCC(COC(N)=O)=C(N3C2=O)C(O)=O

InChI

InChIKey=PSHTUXFVSLDCBI-UHFFFAOYSA-N
InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)4-8-2-3-27-6-8)13(23)19-11(12(21)22)9(5-26-15(17)24)7-28-14(16)19/h2-3,6,14H,4-5,7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)

HIDE SMILES / InChI

Molecular Formula C16H17N3O7S2
Molecular Weight 427.452
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:39:51 GMT 2025
Edited
by admin
on Wed Apr 02 17:39:51 GMT 2025
Record UNII
9EJ46D3EPZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEFOXITIN SODIUM IMPURITY I [EP IMPURITY]
Preferred Name English
(6R,7S)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[2-(thiophen-3-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Systematic Name English
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[[2-(3-thienyl)acetyl]amino]-
Systematic Name English
3-[[(Aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[[2-(3-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Systematic Name English
Code System Code Type Description
CAS
1222095-68-2
Created by admin on Wed Apr 02 17:39:51 GMT 2025 , Edited by admin on Wed Apr 02 17:39:51 GMT 2025
PRIMARY
FDA UNII
9EJ46D3EPZ
Created by admin on Wed Apr 02 17:39:51 GMT 2025 , Edited by admin on Wed Apr 02 17:39:51 GMT 2025
PRIMARY
PUBCHEM
13206763
Created by admin on Wed Apr 02 17:39:51 GMT 2025 , Edited by admin on Wed Apr 02 17:39:51 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY