4-(((3-CHLORO-4-METHOXYPHENYL)METHYL)AMINO)-2-((2S)-2-(HYDROXYMETHYL)-1-PYRROLIDINYL)-5-PYRIMIDINECARBOXAMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H22ClN5O3
Molecular Weight	391.852
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(((3-CHLORO-4-METHOXYPHENYL)METHYL)AMINO)-2-((2S)-2-(HYDROXYMETHYL)-1-PYRROLIDINYL)-5-PYRIMIDINECARBOXAMIDE

Structure Search

SMILES

COC1=CC=C(CNC2=C(C=NC(=N2)N3CCC[C@H]3CO)C(N)=O)C=C1Cl

InChI

InChIKey=DOFKMUMGUZOQSB-LBPRGKRZSA-N

InChI=1S/C18H22ClN5O3/c1-27-15-5-4-11(7-14(15)19)8-21-17-13(16(20)26)9-22-18(23-17)24-6-2-3-12(24)10-25/h4-5,7,9,12,25H,2-3,6,8,10H2,1H3,(H2,20,26)(H,21,22,23)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H22ClN5O3
Molecular Weight	391.852
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:07:40 GMT 2023` Edited by `admin` on `Sat Dec 16 10:07:40 GMT 2023`
Record UNII	0GSC2KM5HE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(((3-CHLORO-4-METHOXYPHENYL)METHYL)AMINO)-2-((2S)-2-(HYDROXYMETHYL)-1-PYRROLIDINYL)-5-PYRIMIDINECARBOXAMIDE

Systematic Name

English

AVANAFIL METABOLITE M7

Common Name

English

5-PYRIMIDINECARBOXAMIDE, 4-(((3-CHLORO-4-METHOXYPHENYL)METHYL)AMINO)-2-((2S)-2-(HYDROXYMETHYL)-1-PYRROLIDINYL)-

Systematic Name

English

Code System Code Type Description

CAS

372117-54-9

Created by admin on Sat Dec 16 10:07:40 GMT 2023 , Edited by admin on Sat Dec 16 10:07:40 GMT 2023

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FDA UNII

0GSC2KM5HE

Created by admin on Sat Dec 16 10:07:40 GMT 2023 , Edited by admin on Sat Dec 16 10:07:40 GMT 2023

PRIMARY

PUBCHEM

58863329

Created by admin on Sat Dec 16 10:07:40 GMT 2023 , Edited by admin on Sat Dec 16 10:07:40 GMT 2023

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Related Record Type Details


					DR5S136IVO

AVANAFIL

PARENT -> METABOLITE

Qualification:

PLASMA