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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

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
  • Download
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
PRIMARY
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
PRIMARY
Related Record Type Details
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