6-(1,3-BENZODIOXOL-5-YL)-6A-HYDROXY-2-METHYL-2,3,6A,7,12A,12B-HEXAHYDROPYRAZINO(1',2':1,5)PYRROLO(3,4-B)QUINOLINE-1,4,12(6H)-TRIONE, (6R,12AR,12BR)-

Details

Stereochemistry	EPIMERIC
Molecular Formula	C22H19N3O6
Molecular Weight	421.4028
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-(1,3-BENZODIOXOL-5-YL)-6A-HYDROXY-2-METHYL-2,3,6A,7,12A,12B-HEXAHYDROPYRAZINO(1',2':1,5)PYRROLO(3,4-B)QUINOLINE-1,4,12(6H)-TRIONE, (6R,12AR,12BR)-

Structure Search

SMILES

[H][C@@]12N([C@H](C3=CC=C4OCOC4=C3)C5(O)NC6=C(C=CC=C6)C(=O)[C@]15[H])C(=O)CN(C)C2=O

InChI

InChIKey=LKWAXSOKGBBZRU-GFJTYIRWSA-N

InChI=1S/C22H19N3O6/c1-24-9-16(26)25-18(21(24)28)17-19(27)12-4-2-3-5-13(12)23-22(17,29)20(25)11-6-7-14-15(8-11)31-10-30-14/h2-8,17-18,20,23,29H,9-10H2,1H3/t17-,18+,20+,22?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H19N3O6
Molecular Weight	421.4028
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:52:59 GMT 2023` Edited by `admin` on `Sat Dec 16 07:52:59 GMT 2023`
Record UNII	GET05909T3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-(1,3-BENZODIOXOL-5-YL)-6A-HYDROXY-2-METHYL-2,3,6A,7,12A,12B-HEXAHYDROPYRAZINO(1',2':1,5)PYRROLO(3,4-B)QUINOLINE-1,4,12(6H)-TRIONE, (6R,12AR,12BR)-

Common Name

English

TADALAFIL IMPURITY E [EP IMPURITY]

Common Name

English

(6R,12AR,12BR)-6-(1,3-BENZODIOXOL-5-YL)-6A-HYDROXY-2-METHYL-2,3,6A,7,12A,12B-HEXAHYDROPYRAZINO(1',2':1,5)PYRROLO(3,4-B)QUINOLINE-1,4,12(6H)-TRIONE

Systematic Name

English

Code System Code Type Description

FDA UNII

GET05909T3

Created by admin on Sat Dec 16 07:52:59 GMT 2023 , Edited by admin on Sat Dec 16 07:52:59 GMT 2023

PRIMARY

PUBCHEM

139033061

Created by admin on Sat Dec 16 07:52:59 GMT 2023 , Edited by admin on Sat Dec 16 07:52:59 GMT 2023

PRIMARY

Related Record Type Details


					742SXX0ICT

TADALAFIL

PARENT -> IMPURITY

Comments:

UNSPECIFIED

Qualification:

EP