Desacetylcephalothin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H14N2O5S2
Molecular Weight	354.401
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12SCC(CO)=C(N1C(=O)[C@H]2NC(=O)CC3=CC=CS3)C(O)=O

InChI

InChIKey=HTBAVMIGXROYPQ-ZWNOBZJWSA-N

InChI=1S/C14H14N2O5S2/c17-5-7-6-23-13-10(12(19)16(13)11(7)14(20)21)15-9(18)4-8-2-1-3-22-8/h1-3,10,13,17H,4-6H2,(H,15,18)(H,20,21)/t10-,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C14H14N2O5S2
Molecular Weight	354.401
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 `Sat Dec 16 19:54:56 GMT 2023` Edited by `admin` on `Sat Dec 16 19:54:56 GMT 2023`
Record UNII	L2J68R6FTP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Desacetylcephalothin

Common Name

English

(6R,7R)-3-(Hydroxymethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systematic Name

English

(6R-trans)-3-(hydroxymethyl)-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systematic Name

English

3-Hydroxymethyl-7-(2-thienylacetamide)-3-cephem-4-carboxylic acid

Systematic Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-[2-(2-thienyl)acetamido]-

Systematic Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-, (6R,7R)-

Systematic Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-, (6R-trans)-

Systematic Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-, (6R,7R)-

Systematic Name

English

Code System Code Type Description

CAS

5935-65-9

Created by admin on Sat Dec 16 19:54:56 GMT 2023 , Edited by admin on Sat Dec 16 19:54:56 GMT 2023

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PUBCHEM

93015

Created by admin on Sat Dec 16 19:54:56 GMT 2023 , Edited by admin on Sat Dec 16 19:54:56 GMT 2023

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FDA UNII

L2J68R6FTP

Created by admin on Sat Dec 16 19:54:56 GMT 2023 , Edited by admin on Sat Dec 16 19:54:56 GMT 2023

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