U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H21N5O8S2
Molecular Weight 463.486
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of AZTREONAM ETHYL ESTER

SMILES

CCOC(=O)C(C)(C)O\N=C(/C(=O)N[C@H]1[C@H](C)N(C1=O)S(O)(=O)=O)C2=CSC(N)=N2

InChI

InChIKey=GHYPJWICYOYVRU-AICXJHAVSA-N
InChI=1S/C15H21N5O8S2/c1-5-27-13(23)15(3,4)28-19-10(8-6-29-14(16)17-8)11(21)18-9-7(2)20(12(9)22)30(24,25)26/h6-7,9H,5H2,1-4H3,(H2,16,17)(H,18,21)(H,24,25,26)/b19-10-/t7-,9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H21N5O8S2
Molecular Weight 463.486
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 11:57:06 UTC 2023
Edited
by admin
on Thu Jul 06 11:57:06 UTC 2023
Record UNII
U67H95ZRD5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZTREONAM ETHYL ESTER
Common Name English
PROPANOIC ACID, 2-(((Z)-(1-(2-AMINO-4-THIAZOLYL)-2-(((2S,3S)-2-METHYL-4-OXO-1-SULFO-3-AZETIDINYL)AMINO)-2-OXOETHYLIDENE)AMINO)OXY)-2-METHYL-, 1-ETHYL ESTER
Common Name English
ETHYL (Z)-2-((((2-AMINO-4-THIAZOLYL)(((2S,3S)-2-METHYL-4-OXO-1-SULFO-3-AZETIDINYL)CARBAMOYL(METHYLENE)AMINO(OXY)-2-METHYLPROPIONATE
Common Name English
PROPANOIC ACID, 2-(((1-(2-AMINO-4-THIAZOLYL)-2-((2-METHYL-4-OXO-1-SULFO-3-AZETIDINYL)AMINO)-2-OXOETHYLIDENE)AMINO)OXY)-2-METHYL-, 1-ETHYL ESTER, (2S-(2.ALPHA.,3.BETA.(Z)))-
Common Name English
Code System Code Type Description
FDA UNII
U67H95ZRD5
Created by admin on Thu Jul 06 11:57:06 UTC 2023 , Edited by admin on Thu Jul 06 11:57:06 UTC 2023
PRIMARY
PUBCHEM
71587391
Created by admin on Thu Jul 06 11:57:06 UTC 2023 , Edited by admin on Thu Jul 06 11:57:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID80145281
Created by admin on Thu Jul 06 11:57:06 UTC 2023 , Edited by admin on Thu Jul 06 11:57:06 UTC 2023
PRIMARY
CAS
102579-57-7
Created by admin on Thu Jul 06 11:57:06 UTC 2023 , Edited by admin on Thu Jul 06 11:57:06 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP