EDOXABAN HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H30ClN7O4S.ClH
Molecular Weight	584.518
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)NC2=CC=C(Cl)C=N2)[C@@H](C1)NC(=O)C3=NC4=C(CN(C)CC4)S3

InChI

InChIKey=ZQYCNCZOSSOOQR-QXXZOGQOSA-N

InChI=1S/C24H30ClN7O4S.ClH/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23;/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34);1H/t13-,15-,17+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C24H30ClN7O4S
Molecular Weight	548.057
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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 `Sat Dec 16 10:01:24 UTC 2023` Edited by `admin` on `Sat Dec 16 10:01:24 UTC 2023`
Record UNII	606P02282F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EDOXABAN HYDROCHLORIDE

Common Name

English

EDOXABAN HYDROCHLORIDE [MI]

Common Name

English

ETHANEDIAMIDE, N1-(5-CHLORO-2-PYRIDINYL)-N2-((1S,2R,4S)-4-((DIMETHYLAMINO)CARBONYL)-2-(((4,5,6,7-TETRAHYDRO-5-METHYLTHIAZOLO(5,4-C)PYRIDIN-2-YL)CARBONYL)AMINO)CYCLOHEXYL)-, HYDROCHLORIDE (1:1)

Systematic Name

English

N 1-(5-CHLORO-2-PYRIDINYL)-N2-((1S,2R,4S)-4-((DIMETHYLAMINO)CARBONYL)-2-(((4,5,6,7-TETRAHYDRO-5-METHYLTHIAZOLO(5,4-C)PYRIDIN-2-YL)CARBONYL)AMINO)CYCLOHEXYL)ETHANEDIAMIDE, HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00963989