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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H17N5O8S2
Molecular Weight 435.433
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SQ-28429

SMILES

C[C@H]1[C@H](NC(=O)C(=N\OC(C)(C)C(O)=O)\C2=CSC(N)=N2)C(=O)N1S(O)(=O)=O

InChI

InChIKey=WZPBZJONDBGPKJ-IYZXUIDESA-N
InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8+/t5-,7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H17N5O8S2
Molecular Weight 435.433
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 Sat Dec 16 04:58:04 UTC 2023
Edited
by admin
on Sat Dec 16 04:58:04 UTC 2023
Record UNII
5Q55M3D9UA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SQ-28429
Common Name English
AZTREONAM E-ISOMER
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-, (2S-(2.ALPHA.,3.BETA.(E)))-
Common Name English
(E)-2-((((2-AMINO-4-THIAZOLYL)(((2S,3S)-2-METHYL-4-OXO-1-SULFO-3-AZETIDINYL)CARBAMOYL(METHYLENE)AMINO(OXY)-2-METHYLPROPIONIC ACID
Common Name English
SQ 28429
Code English
AZTREONAM E-ISOMER [USP-RS]
Common Name English
PROPANOIC ACID, 2-(((E)-(1-(2-AMINO-4-THIAZOLYL)-2-(((2S,3S)-2-METHYL-4-OXO-1-SULFO-3-AZETIDINYL)AMINO)-2-OXOETHYLIDENE)AMINO)OXY)-2-METHYL-
Common Name English
Code System Code Type Description
FDA UNII
5Q55M3D9UA
Created by admin on Sat Dec 16 04:58:05 UTC 2023 , Edited by admin on Sat Dec 16 04:58:05 UTC 2023
PRIMARY
PUBCHEM
5459211
Created by admin on Sat Dec 16 04:58:05 UTC 2023 , Edited by admin on Sat Dec 16 04:58:05 UTC 2023
PRIMARY
EPA CompTox
DTXSID20244045
Created by admin on Sat Dec 16 04:58:05 UTC 2023 , Edited by admin on Sat Dec 16 04:58:05 UTC 2023
PRIMARY
RS_ITEM_NUM
1046307
Created by admin on Sat Dec 16 04:58:05 UTC 2023 , Edited by admin on Sat Dec 16 04:58:05 UTC 2023
PRIMARY
CAS
99341-02-3
Created by admin on Sat Dec 16 04:58:05 UTC 2023 , Edited by admin on Sat Dec 16 04:58:05 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP