NINTEDANIB ESYLATE HEMIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C31H33N5O4.2C2H6O3S.H2O
Molecular Weight	1317.529
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of NINTEDANIB ESYLATE HEMIHYDRATE

Structure Search

SMILES

O.CCS(O)(=O)=O.CCS(O)(=O)=O.COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC3=CC=C(C=C3)N(C)C(=O)CN4CCN(C)CC4)C5=CC=CC=C5)=C1.COC(=O)C6=CC=C7C(NC(=O)\C7=C(/NC8=CC=C(C=C8)N(C)C(=O)CN9CCN(C)CC9)C%10=CC=CC=C%10)=C6

InChI

InChIKey=FXFVOZKAPICGNY-NKYWIEMRSA-N

InChI=1S/2C31H33N5O4.2C2H6O3S.H2O/c2*1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38;2*1-2-6(3,4)5;/h2*4-14,19,32H,15-18,20H2,1-3H3,(H,33,38);2*2H2,1H3,(H,3,4,5);1H2/b2*29-28-;;;

HIDE SMILES / InChI

Approval Year

Name

Type

Language

NINTEDANIB ESYLATE HEMIHYDRATE

Common Name

English

1H-INDOLE-6-CARBOXYLIC ACID, 2,3-DIHYDRO-3-(((4-(METHYL(2-(4-METHYL-1-PIPERAZINYL)ACETYL)AMINO)PHENYL)AMINO)PHENYLMETHYLENE)-2-OXO-, METHYL ESTER, (3Z)-, METHANESULFONATE, HYDRATE (2:2:1)

Systematic Name

English

Code System Code Type Description

CAS

959762-24-4

Created by admin on Fri Dec 15 15:30:16 UTC 2023 , Edited by admin on Fri Dec 15 15:30:16 UTC 2023

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FDA UNII

23O68KB9KV

Created by admin on Fri Dec 15 15:30:16 UTC 2023 , Edited by admin on Fri Dec 15 15:30:16 UTC 2023

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ACTIVE MOIETY