6'-(1,3-BENZODIOXOL-5-YL)-2'-METHYL-2',3',8',8A'-TETRAHYDRO-6'H-SPIRO(3,1-BENZOXAZINE-4,7'-PYRROLO(1,2-A)PYRAZINE)-1',2,4'(1H)-TRIONE, (8A'R)-

Details

Stereochemistry	MIXED
Molecular Formula	C22H19N3O6
Molecular Weight	421.4028
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6'-(1,3-BENZODIOXOL-5-YL)-2'-METHYL-2',3',8',8A'-TETRAHYDRO-6'H-SPIRO(3,1-BENZOXAZINE-4,7'-PYRROLO(1,2-A)PYRAZINE)-1',2,4'(1H)-TRIONE, (8A'R)-

SMILES

CN1CC(=O)N2[C@H](CC3(OC(=O)NC4=C3C=CC=C4)C2C5=CC6=C(OCO6)C=C5)C1=O

InChI

InChIKey=ZUCOJEUKLPYQMG-DMXYAQSFSA-N

InChI=1S/C22H19N3O6/c1-24-10-18(26)25-15(20(24)27)9-22(13-4-2-3-5-14(13)23-21(28)31-22)19(25)12-6-7-16-17(8-12)30-11-29-16/h2-8,15,19H,9-11H2,1H3,(H,23,28)/t15-,19?,22?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H19N3O6
Molecular Weight	421.4028
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	1 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical
Record UNII	Q1W2V6Q6N9
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

6'-(1,3-BENZODIOXOL-5-YL)-2'-METHYL-2',3',8',8A'-TETRAHYDRO-6'H-SPIRO(3,1-BENZOXAZINE-4,7'-PYRROLO(1,2-A)PYRAZINE)-1',2,4'(1H)-TRIONE, (8A'R)-

Common Name

English

TADALAFIL IMPURITY F [EP IMPURITY]

Preferred Name

English

(8A'R)-6'-(1,3-BENZODIOXOL-5-YL)-2'-METHYL-2',3',8',8A'-TETRAHYDRO-6'H-SPIRO(3,1-BENZOXAZINE-4,7'-PYRROLO(1,2-A)PYRAZINE)-1',2,4'(1H)-TRIONE

Systematic Name

English

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Code System

Code

Type

Description

PUBCHEM

135390931

PRIMARY

FDA UNII

Q1W2V6Q6N9

PRIMARY

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