3-HYDROXY-N-(DEPYRIDINYLMETHYL)-APATINIB, CIS-

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H18N4O2
Molecular Weight	322.3611
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-HYDROXY-N-(DEPYRIDINYLMETHYL)-APATINIB, CIS-

Structure Search

SMILES

NC1=NC=CC=C1C(=O)NC2=CC=C(C=C2)[C@]3(CC[C@H](O)C3)C#N

InChI

InChIKey=RSVVQKNHIANGBY-KSSFIOAISA-N

InChI=1S/C18H18N4O2/c19-11-18(8-7-14(23)10-18)12-3-5-13(6-4-12)22-17(24)15-2-1-9-21-16(15)20/h1-6,9,14,23H,7-8,10H2,(H2,20,21)(H,22,24)/t14-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H18N4O2
Molecular Weight	322.3611
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:29:53 GMT 2023` Edited by `admin` on `Sat Dec 16 17:29:53 GMT 2023`
Record UNII	FL1TW88LJA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-HYDROXY-N-(DEPYRIDINYLMETHYL)-APATINIB, CIS-

Common Name

English

3-PYRIDINECARBOXAMIDE, 2-AMINO-N-(4-((1R,3S)-1-CYANO-3-HYDROXYCYCLOPENTYL)PHENYL)-, REL-

Systematic Name

English

APATINIB METABOLITE M3-1

Common Name

English

REL-2-AMINO-N-(4-((1R,3S)-1-CYANO-3-HYDROXYCYCLOPENTYL)PHENYL)-3-PYRIDINECARBOXAMIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

154731566

Created by admin on Sat Dec 16 17:29:53 GMT 2023 , Edited by admin on Sat Dec 16 17:29:53 GMT 2023

PRIMARY

FDA UNII

FL1TW88LJA

Created by admin on Sat Dec 16 17:29:53 GMT 2023 , Edited by admin on Sat Dec 16 17:29:53 GMT 2023

PRIMARY

CAS

1571081-20-3

Created by admin on Sat Dec 16 17:29:53 GMT 2023 , Edited by admin on Sat Dec 16 17:29:53 GMT 2023

PRIMARY

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