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Details

Stereochemistry EPIMERIC
Molecular Formula C18H18N8O7S3
Molecular Weight 554.58
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (6R,7R)-7-((Z)-2-(2-AMINOTHIAZOL-4-YL)-2-(METHOXYIMINO)ACETAMIDO)-3-(((6-HYDROXY-2-METHYL-5-OXO-2,5-DIHYDRO-1,2,4-TRIAZIN-3-YL)THIO)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-3-ENE-2-CARBOXYLIC ACID

SMILES

[H][C@]12SC=C(CSC3=NC(=O)C(O)=NN3C)C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C4=CSC(N)=N4)C(O)=O

InChI

InChIKey=AQGXVSLZGIRRTM-RQKKCADOSA-N
InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h3,5,9-10,15H,4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,10?,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H18N8O7S3
Molecular Weight 554.58
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 19:50:48 UTC 2023
Edited
by admin
on Thu Jul 06 19:50:48 UTC 2023
Record UNII
1CW3XP490B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6R,7R)-7-((Z)-2-(2-AMINOTHIAZOL-4-YL)-2-(METHOXYIMINO)ACETAMIDO)-3-(((6-HYDROXY-2-METHYL-5-OXO-2,5-DIHYDRO-1,2,4-TRIAZIN-3-YL)THIO)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-3-ENE-2-CARBOXYLIC ACID
Common Name English
CEFTRIAXONE 3-ENE ISOMER [USP IMPURITY]
Common Name English
CEFTRIAXONE SODIUM RELATED SUBSTANCE G [USP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
1CW3XP490B
Created by admin on Thu Jul 06 19:50:48 UTC 2023 , Edited by admin on Thu Jul 06 19:50:48 UTC 2023
PRIMARY
PUBCHEM
154729085
Created by admin on Thu Jul 06 19:50:48 UTC 2023 , Edited by admin on Thu Jul 06 19:50:48 UTC 2023
PRIMARY
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