7-AMINO-3-(((2,5-DIHYDRO-6-HYDROXY-2-METHYL-5-OXO-1,2,4-TRIAZIN-3-YL)THIO)METHYL)CEPHALOSPORANIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H13N5O5S2
Molecular Weight	371.392
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-AMINO-3-(((2,5-DIHYDRO-6-HYDROXY-2-METHYL-5-OXO-1,2,4-TRIAZIN-3-YL)THIO)METHYL)CEPHALOSPORANIC ACID

Structure Search

SMILES

CN1NC(=O)C(=O)N=C1SCC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(O)=O

InChI

InChIKey=YTUNICCSPPTMJY-GPXNAGAYSA-N

InChI=1S/C12H13N5O5S2/c1-16-12(14-7(18)8(19)15-16)24-3-4-2-23-10-5(13)9(20)17(10)6(4)11(21)22/h5,10H,2-3,13H2,1H3,(H,15,19)(H,21,22)/t5-,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C12H13N5O5S2
Molecular Weight	371.392
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:08:58 GMT 2025` Edited by `admin` on `Mon Mar 31 18:08:58 GMT 2025`
Record UNII	V9ZSC4T2AG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-AMINO-3-(((2,5-DIHYDRO-6-HYDROXY-2-METHYL-5-OXO-1,2,4-TRIAZIN-3-YL)THIO)METHYL)CEPHALOSPORANIC ACID

Common Name

English

CEFTRIAXONE SODIUM IMPURITY E [EP IMPURITY]

Preferred Name

English

DEACYL CEFTRIAXONE [USP IMPURITY]

Common Name

English

(6R,7R)-7-AMINO-3-(((2-METHYL-5,6-DIOXO-1,2,5,6-TETRAHYDRO-1,2,4-TRIAZIN-3-YL)SULFANYL)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID

Systematic Name

English

DEACYL CEFTRIAXONE

Common Name

English

CEFTRIAXONE SODIUM IMPURITY C [IP]

Common Name

English

CEFTRIAXONE SODIUM RELATED SUBSTANCE F [USP IMPURITY]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID20974411