OBAFISTAT SODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H15FN5O3S.Na
Molecular Weight	387.364
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0
Stereo Comments	MESO

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].FC1=CC=CC(=C1)S(=O)(=O)N2[C@H]3CC[C@@H]2CN(C3)C(=O)C4=CN=N[N-]4

InChI

InChIKey=AQTRNKKNXJRNOL-IWKKHLOMSA-M

InChI=1S/C15H16FN5O3S.Na/c16-10-2-1-3-13(6-10)25(23,24)21-11-4-5-12(21)9-20(8-11)15(22)14-7-17-19-18-14;/h1-3,6-7,11-12H,4-5,8-9H2,(H,17,18,19,22);/q;+1/p-1/t11-,12+;

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C15H16FN5O3S
Molecular Weight	365.383
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 14:58:22 GMT 2023` Edited by `admin` on `Sat Dec 16 14:58:22 GMT 2023`
Record UNII	HXM1TET9Q0
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

OBAFISTAT SODIUM

Common Name

English

METHANONE, (8-((3-FLUOROPHENYL)SULFONYL)-3,8-DIAZABICYCLO(3.2.1)OCT-3-YL)-1H-1,2,3-TRIAZOL-5-YL-, SODIUM SALT (1:1)

Common Name

English

OBAFISTAT, SODIUM SALT

Common Name

English

Code System Code Type Description

FDA UNII

HXM1TET9Q0

Created by admin on Sat Dec 16 14:58:22 GMT 2023 , Edited by admin on Sat Dec 16 14:58:22 GMT 2023

PRIMARY

PUBCHEM

139593464

Created by admin on Sat Dec 16 14:58:22 GMT 2023 , Edited by admin on Sat Dec 16 14:58:22 GMT 2023

PRIMARY

CAS

2160584-07-4

Created by admin on Sat Dec 16 14:58:22 GMT 2023 , Edited by admin on Sat Dec 16 14:58:22 GMT 2023

PRIMARY

Related Record Type Details


					29714ZC6VZ

OBAFISTAT

SALT/SOLVATE -> PARENT

Related Record Type Details


					29714ZC6VZ

OBAFISTAT

ACTIVE MOIETY