Sofigatran sulfate

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C24H44N4O4S.H2O4S
Molecular Weight	1067.47
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.CCCOC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC[C@H]2CC[C@H](N)CC2)C(C)(C)SC(C)C.CCCOC(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)NC[C@H]4CC[C@H](N)CC4)C(C)(C)SC(C)C

InChI

InChIKey=ZMSGBALTLAIWCV-LOLPTXPVSA-N

InChI=1S/2C24H44N4O4S.H2O4S/c2*1-6-14-32-23(31)27-20(24(4,5)33-16(2)3)22(30)28-13-7-8-19(28)21(29)26-15-17-9-11-18(25)12-10-17;1-5(2,3)4/h2*16-20H,6-15,25H2,1-5H3,(H,26,29)(H,27,31);(H2,1,2,3,4)/t2*17-,18-,19-,20+;/m00./s1

HIDE SMILES / InChI

Molecular Formula	C24H44N4O4S
Molecular Weight	484.696
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O4S
Molecular Weight	98.078
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 `Fri Dec 15 15:50:34 GMT 2023` Edited by `admin` on `Fri Dec 15 15:50:34 GMT 2023`
Record UNII	QZV3Z4DQD6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sofigatran sulfate

Common Name

English

3-(ISOPROPYLTHIO)-N-(PROPOXYCARBONYL)-L-VALYL-N-((TRANS-4-AMINOCYCLOHEXYL)METHYL)-L-PROLINAMIDE SULFATE (2:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

QZV3Z4DQD6

Created by admin on Fri Dec 15 15:50:34 GMT 2023 , Edited by admin on Fri Dec 15 15:50:34 GMT 2023

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