Cefathiamidine Lactone

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H24N4O4S2
Molecular Weight	412.527
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12SCC3=C(N1C(=O)[C@H]2NC(=O)CS\C(NC(C)C)=N/C(C)C)C(=O)OC3

InChI

InChIKey=CGKQBDIOPXYUGG-IUODEOHRSA-N

InChI=1S/C17H24N4O4S2/c1-8(2)18-17(19-9(3)4)27-7-11(22)20-12-14(23)21-13-10(5-25-16(13)24)6-26-15(12)21/h8-9,12,15H,5-7H2,1-4H3,(H,18,19)(H,20,22)/t12-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H24N4O4S2
Molecular Weight	412.527
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 20:18:45 GMT 2023` Edited by `admin` on `Sat Dec 16 20:18:45 GMT 2023`
Record UNII	JJP73F9YBY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cefathiamidine Lactone

Common Name

English

Carbamimidothioic acid, N,N′-bis(1-methylethyl)-, 2-oxo-2-[[(5aR,6R)-1,4,5a,6-tetrahydro-1,7-dioxo-3H,7H-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]amino]ethyl ester

Systematic Name

English

2-Oxo-2-[[(5aR,6R)-1,4,5a,6-tetrahydro-1,7-dioxo-3H,7H-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]amino]ethyl N,N′-bis(1-methylethyl)carbamimidothioate

Systematic Name

English

Cefathiamidine Impurity D

Common Name

English

Code System Code Type Description

PUBCHEM

129010500

Created by admin on Sat Dec 16 20:18:45 GMT 2023 , Edited by admin on Sat Dec 16 20:18:45 GMT 2023

PRIMARY

FDA UNII

JJP73F9YBY

Created by admin on Sat Dec 16 20:18:45 GMT 2023 , Edited by admin on Sat Dec 16 20:18:45 GMT 2023

PRIMARY

CAS

905712-22-3

Created by admin on Sat Dec 16 20:18:45 GMT 2023 , Edited by admin on Sat Dec 16 20:18:45 GMT 2023

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