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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18N2O4.ClH
Molecular Weight 386.829
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride

SMILES

Cl.COC(=O)[C@H]1CC2=C(NC3=CC=CC=C23)[C@H](N1)C4=CC=C5OCOC5=C4

InChI

InChIKey=ROYJOKDTCKPQHK-KQKCUOLZSA-N
InChI=1S/C20H18N2O4.ClH/c1-24-20(23)15-9-13-12-4-2-3-5-14(12)21-19(13)18(22-15)11-6-7-16-17(8-11)26-10-25-16;/h2-8,15,18,21-22H,9-10H2,1H3;1H/t15-,18-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-, methyl ester, hydrochloride (1:1), (1R,3R)-
Preferred Name English
Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
Systematic Name English
Code System Code Type Description
CAS
1134780-93-0
Created by admin on Wed Apr 02 18:19:27 GMT 2025 , Edited by admin on Wed Apr 02 18:19:27 GMT 2025
NON-SPECIFIC STOICHIOMETRY
CAS
171752-68-4
Created by admin on Wed Apr 02 18:19:27 GMT 2025 , Edited by admin on Wed Apr 02 18:19:27 GMT 2025
PRIMARY
PUBCHEM
11417803
Created by admin on Wed Apr 02 18:19:27 GMT 2025 , Edited by admin on Wed Apr 02 18:19:27 GMT 2025
PRIMARY
FDA UNII
53F8A8T7V8
Created by admin on Wed Apr 02 18:19:27 GMT 2025 , Edited by admin on Wed Apr 02 18:19:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID80465279
Created by admin on Wed Apr 02 18:19:27 GMT 2025 , Edited by admin on Wed Apr 02 18:19:27 GMT 2025
PRIMARY