(4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-5-((PYRIMIDIN-2-YLMETHYL)CARBAMOYL)PYRIMIDIN-2-YL)-L-PROLINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H24ClN7O4
Molecular Weight	497.934
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-5-((PYRIMIDIN-2-YLMETHYL)CARBAMOYL)PYRIMIDIN-2-YL)-L-PROLINE

Structure Search

SMILES

COC1=CC=C(CNC2=C(C=NC(=N2)N3CCC[C@H]3C(O)=O)C(=O)NCC4=NC=CC=N4)C=C1Cl

InChI

InChIKey=PCBMPGFPDFMDBC-KRWDZBQOSA-N

InChI=1S/C23H24ClN7O4/c1-35-18-6-5-14(10-16(18)24)11-27-20-15(21(32)28-13-19-25-7-3-8-26-19)12-29-23(30-20)31-9-2-4-17(31)22(33)34/h3,5-8,10,12,17H,2,4,9,11,13H2,1H3,(H,28,32)(H,33,34)(H,27,29,30)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H24ClN7O4
Molecular Weight	497.934
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 UTC 2023` Edited by `admin` on `Sat Dec 16 10:07:40 UTC 2023`
Record UNII	S84P2JM6FL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-5-((PYRIMIDIN-2-YLMETHYL)CARBAMOYL)PYRIMIDIN-2-YL)-L-PROLINE

Systematic Name

English

AVANAFIL METABOLITE M10

Common Name

English

CARBOXYLIC ACID AVANAFIL

Common Name

English

Code System Code Type Description

FDA UNII

S84P2JM6FL

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

PRIMARY

PUBCHEM

91827069

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

PRIMARY

Related Record Type Details


					DR5S136IVO

AVANAFIL

PARENT -> METABOLITE

Qualification:

FECAL; PLASMA; URINE