CEPHALOTHIN ETHANOLAMINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H16N2O6S2.C2H7NO
Molecular Weight	457.521
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=DZGMMKAGEYLTBD-XRZFDKQNSA-N

InChI=1S/C16H16N2O6S2.C2H7NO/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;3-1-2-4/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);4H,1-3H2/t12-,15-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C2H7NO
Molecular Weight	61.0831
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C16H16N2O6S2
Molecular Weight	396.438
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 `Fri Dec 15 15:08:06 UTC 2023` Edited by `admin` on `Fri Dec 15 15:08:06 UTC 2023`
Record UNII	IW6KLJ5ANA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEPHALOTHIN ETHANOLAMINE

Common Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-((ACETYLOXY)METHYL)-8-OXO-7-((2-THIENYLACETYL)AMINO)-, (6R-TRANS)-, COMPD. WITH 2-AMINOETHANOL (1:1)

Systematic Name

English

7-(2-THIENYLACETAMIDO)CEPHALOSPORANIC ACID ETHANOLAMINE SALT

Common Name

English

Code System Code Type Description

FDA UNII

IW6KLJ5ANA

Created by admin on Fri Dec 15 15:08:06 UTC 2023 , Edited by admin on Fri Dec 15 15:08:06 UTC 2023

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PUBCHEM

133082149