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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 (1S,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=C2C=CC=C3)[C@@H](N1)C4=CC=C5OCOC5=C4

InChI

InChIKey=ROYJOKDTCKPQHK-CFILVAQYSA-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

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H18N2O4
Molecular Weight 350.3679
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity ( + )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:02:03 GMT 2023
Edited
by admin
on Sat Dec 16 20:02:03 GMT 2023
Record UNII
E86G6V7X8L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl (1S,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
PUBCHEM
163203260
Created by admin on Sat Dec 16 20:02:03 GMT 2023 , Edited by admin on Sat Dec 16 20:02:03 GMT 2023
PRIMARY
CAS
1609374-53-9
Created by admin on Sat Dec 16 20:02:03 GMT 2023 , Edited by admin on Sat Dec 16 20:02:03 GMT 2023
PRIMARY
FDA UNII
E86G6V7X8L
Created by admin on Sat Dec 16 20:02:03 GMT 2023 , Edited by admin on Sat Dec 16 20:02:03 GMT 2023
PRIMARY