N-MONOMETHYL EDOXABAN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28ClN7O4S
Molecular Weight	534.031
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC(=O)[C@H]1CC[C@H](NC(=O)C(=O)NC2=NC=C(Cl)C=C2)[C@@H](C1)NC(=O)C3=NC4=C(CN(C)CC4)S3

InChI

InChIKey=XEESEADVQCJXSF-DUVNUKRYSA-N

InChI=1S/C23H28ClN7O4S/c1-25-19(32)12-3-5-14(27-20(33)21(34)30-18-6-4-13(24)10-26-18)16(9-12)28-22(35)23-29-15-7-8-31(2)11-17(15)36-23/h4,6,10,12,14,16H,3,5,7-9,11H2,1-2H3,(H,25,32)(H,27,33)(H,28,35)(H,26,30,34)/t12-,14-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H28ClN7O4S
Molecular Weight	534.031
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:17:27 UTC 2023` Edited by `admin` on `Sat Dec 16 14:17:27 UTC 2023`
Record UNII	NAN95BH0RH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

N-MONOMETHYL EDOXABAN

Common Name

English

EDOXABAN-M8

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

59676785

Created by admin on Sat Dec 16 14:17:27 UTC 2023 , Edited by admin on Sat Dec 16 14:17:27 UTC 2023

PRIMARY

FDA UNII

NAN95BH0RH

Created by admin on Sat Dec 16 14:17:27 UTC 2023 , Edited by admin on Sat Dec 16 14:17:27 UTC 2023

PRIMARY

CAS

740794-83-6

Created by admin on Sat Dec 16 14:17:27 UTC 2023 , Edited by admin on Sat Dec 16 14:17:27 UTC 2023

PRIMARY

Related Record Type Details


					NDU3J18APO

EDOXABAN

PARENT -> METABOLITE ACTIVE

Qualification:

FECAL; PLASMA