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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H17N8O7S3
Molecular Weight 553.572
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge -1

SHOW SMILES / InChI
Structure of CEFTRIAXONE, (E)-

SMILES

[H][C@]12SCC(CSC3=NC(=O)C(=O)[N-]N3C)=C(N1C(=O)[C@H]2NC(=O)C(=N\OC)\C4=CSC(N)=N4)C(O)=O

InChI

InChIKey=PGSFBGXNEHRYRA-TYHRLYECSA-M
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/h5,9,15H,3-4H2,1-2H3,(H5,19,20,21,23,27,29,31,32)/p-1/b24-8+/t9-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H18N8O7S3
Molecular Weight 554.58
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 07:42:48 UTC 2023
Edited
by admin
on Sat Dec 16 07:42:48 UTC 2023
Record UNII
8596N5F144
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEFTRIAXONE, (E)-
Common Name English
CEFTRIAXONE SODIUM IMPURITY A [EP IMPURITY]
Common Name English
RO 15-2254
Code English
(6R,7R)-7-(((2E)-(2-AMINOTHIAZOL-4-YL)(METHOXYIMINO)ACETYL)AMINO)-3-(((2-METHYL-5,6-DIOXO-1,2,5,6-TETRAHYDRO-1,2,4-TRIAZIN-3-YL)SULFANYL)METHYL)-8-OXO-5-
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2E)-2-(2-AMINO-4-THIAZOLYL)-2-(METHOXYIMINO)ACETYL)AMINO)-8-OXO-3-(((1,2,5,6-TETRAHYDRO-2-METHYL-5,6-DIOXO-1,2,4-TRIAZIN-3-YL)THIO)METHYL)-, (6R,7R)-
Common Name English
CEFTRIAXONE SODIUM IMPURITY A [IP]
Common Name English
CEFTRIAXONE E-ISOMER [USP IMPURITY]
Common Name English
CEFTRIAXONE SODIUM RELATED SUBSTANCE H [USP IMPURITY]
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2-AMINO-4-THIAZOLYL)(METHOXYIMINO)ACETYL)AMINO)-8-OXO-3-(((1,2,5,6-TETRAHYDRO-2-METHYL-5,6-DIOXO-1,2,4-TRIAZIN-3-YL)THIO)METHYL)-, (6R-(6.ALPHA.,7.BETA.(E)))-
Common Name English
Code System Code Type Description
CAS
92143-31-2
Created by admin on Sat Dec 16 07:42:48 UTC 2023 , Edited by admin on Sat Dec 16 07:42:48 UTC 2023
PRIMARY
FDA UNII
8596N5F144
Created by admin on Sat Dec 16 07:42:48 UTC 2023 , Edited by admin on Sat Dec 16 07:42:48 UTC 2023
PRIMARY
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