Ethyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H21ClN2O5
Molecular Weight	440.876
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Structure Search

SMILES

CCOC(=O)[C@H]1CC2=C(NC3=C2C=CC=C3)[C@H](N1C(=O)CCl)C4=CC5=C(OCO5)C=C4

InChI

InChIKey=RXGAEBBYRJEBMA-VGOFRKELSA-N

InChI=1S/C23H21ClN2O5/c1-2-29-23(28)17-10-15-14-5-3-4-6-16(14)25-21(15)22(26(17)20(27)11-24)13-7-8-18-19(9-13)31-12-30-18/h3-9,17,22,25H,2,10-12H2,1H3/t17-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H21ClN2O5
Molecular Weight	440.876
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 20:00:29 GMT 2023` Edited by `admin` on `Sat Dec 16 20:00:29 GMT 2023`
Record UNII	NZ5BAE7KEV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Systematic Name

English

Tadalafil Impurity 67

Common Name

English

1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-, ethyl ester, (1R,3R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

NZ5BAE7KEV

Created by admin on Sat Dec 16 20:00:30 GMT 2023 , Edited by admin on Sat Dec 16 20:00:30 GMT 2023

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CAS

1863191-32-5

Created by admin on Sat Dec 16 20:00:30 GMT 2023 , Edited by admin on Sat Dec 16 20:00:30 GMT 2023

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