BMY-25174

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H18N2O4S
Molecular Weight	334.39
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](O)[C@@H]1[C@H]2CC(SCC3=CC=CC=[N+]3C)=C(N2C1=O)C([O-])=O

InChI

InChIKey=LTUFQPDTYZGGDG-IRUJWGPZSA-N

InChI=1S/C16H18N2O4S/c1-9(19)13-11-7-12(14(16(21)22)18(11)15(13)20)23-8-10-5-3-4-6-17(10)2/h3-6,9,11,13,19H,7-8H2,1-2H3/t9-,11-,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H18N2O4S
Molecular Weight	334.39
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:53:08 GMT 2025` Edited by `admin` on `Mon Mar 31 17:53:08 GMT 2025`
Record UNII	WZ0S8GB09V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMY-25174

Common Name

English

PYRIDINIUM, 2-(((2-CARBOXY-6-(1-HYDROXYETHYL)-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)THIO)METHYL)-1-METHYL-, HYDROXIDE, INNER SALT, (5R-(5.ALPHA.,6.ALPHA.(R*)))-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID60919629

Created by admin on Mon Mar 31 17:53:08 GMT 2025 , Edited by admin on Mon Mar 31 17:53:08 GMT 2025

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CAS

91615-54-2

Created by admin on Mon Mar 31 17:53:08 GMT 2025 , Edited by admin on Mon Mar 31 17:53:08 GMT 2025

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FDA UNII

WZ0S8GB09V

Created by admin on Mon Mar 31 17:53:08 GMT 2025 , Edited by admin on Mon Mar 31 17:53:08 GMT 2025

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PUBCHEM

124668

Created by admin on Mon Mar 31 17:53:08 GMT 2025 , Edited by admin on Mon Mar 31 17:53:08 GMT 2025

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