D21-2393

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H25ClN6O5S
Molecular Weight	520.989
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(Cl)C=C4)C(O)=O

InChI

InChIKey=QPYMJNYAASVNAP-CORIIIEPSA-N

InChI=1S/C22H25ClN6O5S/c1-29-7-6-14-16(10-29)35-21(27-14)20(32)26-15-8-11(22(33)34)2-4-13(15)25-18(30)19(31)28-17-5-3-12(23)9-24-17/h3,5,9,11,13,15H,2,4,6-8,10H2,1H3,(H,25,30)(H,26,32)(H,33,34)(H,24,28,31)/t11-,13-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H25ClN6O5S
Molecular Weight	520.989
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:05:51 UTC 2023` Edited by `admin` on `Sat Dec 16 09:05:51 UTC 2023`
Record UNII	IV344R972X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

D21-2393

Common Name

English

EDOXABAN M4 METABOLITE

Common Name

English

CYCLOHEXANECARBOXYLIC ACID, 4-((2-((5-CHLORO-2-PYRIDINYL)AMINO)-2-OXOACETYL)AMINO)-3-(((4,5,6,7-TETRAHYDRO-5-METHYLTHIAZOLO(5,4-C)PYRIDIN-2-YL)CARBONYL)AMINO)-, (1S,3R,4S)-

Systematic Name

English

Code System Code Type Description

CAS

834919-19-6

Created by admin on Sat Dec 16 09:05:51 UTC 2023 , Edited by admin on Sat Dec 16 09:05:51 UTC 2023

PRIMARY

FDA UNII

IV344R972X

Created by admin on Sat Dec 16 09:05:51 UTC 2023 , Edited by admin on Sat Dec 16 09:05:51 UTC 2023

PRIMARY

PUBCHEM

59676899

Created by admin on Sat Dec 16 09:05:51 UTC 2023 , Edited by admin on Sat Dec 16 09:05:51 UTC 2023

PRIMARY

Related Record Type Details


					NDU3J18APO

EDOXABAN

PARENT -> METABOLITE ACTIVE

Interaction Type:

MAJOR

Qualification:

FECAL; PLASMA; URINE

Amount: