Terutroban sodium

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H21ClNO4S.Na
Molecular Weight	429.893
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CC1=C(CCC([O-])=O)C2=C(C[C@@H](CC2)NS(=O)(=O)C3=CC=C(Cl)C=C3)C=C1

InChI

InChIKey=BQMSKINGUUUIHE-PKLMIRHRSA-M

InChI=1S/C20H22ClNO4S.Na/c1-13-2-3-14-12-16(6-9-19(14)18(13)10-11-20(23)24)22-27(25,26)17-7-4-15(21)5-8-17;/h2-5,7-8,16,22H,6,9-12H2,1H3,(H,23,24);/q;+1/p-1/t16-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C20H21ClNO4S
Molecular Weight	406.903
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:49:20 UTC 2023` Edited by `admin` on `Sat Dec 16 19:49:20 UTC 2023`
Record UNII	KP3SN6UT5P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Terutroban sodium

Common Name

English

1-Naphthalenepropanoic acid, 6-[[(4-chlorophenyl)sulfonyl]amino]-5,6,7,8-tetrahydro-2-methyl-, monosodium salt, (6R)-

Systematic Name

English

1-Naphthalenepropanoic acid, 6-[[(4-chlorophenyl)sulfonyl]amino]-5,6,7,8-tetrahydro-2-methyl-, sodium salt (1:1), (6R)-

Systematic Name

English

S 18886 sodium

Code

English

S-18886 sodium

Code

English

Code System Code Type Description

FDA UNII

KP3SN6UT5P

Created by admin on Sat Dec 16 19:49:20 UTC 2023 , Edited by admin on Sat Dec 16 19:49:20 UTC 2023

PRIMARY

PUBCHEM

23674098

Created by admin on Sat Dec 16 19:49:20 UTC 2023 , Edited by admin on Sat Dec 16 19:49:20 UTC 2023

PRIMARY

EPA CompTox

DTXSID00976397

Created by admin on Sat Dec 16 19:49:20 UTC 2023 , Edited by admin on Sat Dec 16 19:49:20 UTC 2023

PRIMARY

CAS

609340-89-8

Created by admin on Sat Dec 16 19:49:20 UTC 2023 , Edited by admin on Sat Dec 16 19:49:20 UTC 2023

PRIMARY

Related Record Type Details


					A6WX9391D8

TERUTROBAN

PARENT -> SALT/SOLVATE

Amount: