Segatroxaban

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H30ClN5O5S2
Molecular Weight	568.109
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1CCN(CC1)C(=O)[C@H](CNC(=O)C2=CC=C(Cl)S2)NS(=O)(=O)C3=C(C)C(=CC=C3)N4CCCC4=O

InChI

InChIKey=CYVVCTRDWISRAC-KRWDZBQOSA-N

InChI=1S/C24H30ClN5O5S2/c1-16-18(30-10-4-7-22(30)31)5-3-6-20(16)37(34,35)27-17(24(33)29-13-11-28(2)12-14-29)15-26-23(32)19-8-9-21(25)36-19/h3,5-6,8-9,17,27H,4,7,10-15H2,1-2H3,(H,26,32)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H30ClN5O5S2
Molecular Weight	568.109
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:20:53 GMT 2025` Edited by `admin` on `Wed Apr 02 21:20:53 GMT 2025`
Record UNII	53FM6EUY9U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Thiophenecarboxamide, 5-chloro-N-[(2S)-2-[[[2-methyl-3-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl]amino]-3-(4-methyl-1-piperazinyl)-3-oxopropyl]-

Preferred Name

English

Segatroxaban

Official Name

English

5-chloro-N-{(2S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzene-1-sulfonamido]-3-(4-methylpiperazin-1-yl)-3-oxopropyl}thiophene-2-carboxamide

Systematic Name

English

5-Chlorothiophene-2-carboxylic acid N-[(S)-2-[[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide

Systematic Name

English

segatroxaban [INN]

Common Name

English

5-Chloro-N-[(2S)-2-[[[2-methyl-3-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl]amino]-3-(4-methyl-1-piperazinyl)-3-oxopropyl]-2-thiophenecarboxamide

Systematic Name

English

Code System Code Type Description

FDA UNII

53FM6EUY9U