BAY-V-3522

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H19N5O4S2.H2O
Molecular Weight	463.531
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.C\C=C/C1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C3=CC=C4N=C(N)SC4=C3)C2=O)C(O)=O

InChI

InChIKey=IOKIMKWTGZVJPY-HERYOFLYSA-N

InChI=1S/C19H19N5O4S2.H2O/c1-2-3-9-7-29-17-13(16(26)24(17)14(9)18(27)28)23-15(25)12(20)8-4-5-10-11(6-8)30-19(21)22-10;/h2-6,12-13,17H,7,20H2,1H3,(H2,21,22)(H,23,25)(H,27,28);1H2/b3-2-;/t12-,13-,17-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C19H19N5O4S2
Molecular Weight	445.515
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:26:30 GMT 2025` Edited by `admin` on `Mon Mar 31 21:26:30 GMT 2025`
Record UNII	9F4O89Z826
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BAY-V-3522

Code

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2R)-AMINO(2-AMINO-6-BENZOTHIAZOLYL)ACETYL)AMINO)-8-OXO-3-(1Z)-1-PROPENYL-, (6R,7R)-, MONOHYDRATE

Preferred Name

English

7-(D-2-AMINO-2-(AMINOBENZOTHIAZOL-6-YL-ACETOAMIDE)-3-((Z)-1-PROPEN-1-LY)-3-CEPHEM-4-CARBOXYLIC ACID MONOHYDRATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

131842269

Created by admin on Mon Mar 31 21:26:30 GMT 2025 , Edited by admin on Mon Mar 31 21:26:30 GMT 2025

PRIMARY

FDA UNII

9F4O89Z826

Created by admin on Mon Mar 31 21:26:30 GMT 2025 , Edited by admin on Mon Mar 31 21:26:30 GMT 2025

PRIMARY

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