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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H17BrN2O2
Molecular Weight 325.201
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl (4aS,9bR)-6-bromo-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indole-2-carboxylate

SMILES

[H][C@]12CCN(C[C@@]1([H])C3=CC=CC(Br)=C3N2)C(=O)OCC

InChI

InChIKey=YKRFDXKYULKKPS-JQWIXIFHSA-N
InChI=1S/C14H17BrN2O2/c1-2-19-14(18)17-7-6-12-10(8-17)9-4-3-5-11(15)13(9)16-12/h3-5,10,12,16H,2,6-8H2,1H3/t10-,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H17BrN2O2
Molecular Weight 325.201
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 19:57:16 GMT 2023
Edited
by admin
on Sat Dec 16 19:57:16 GMT 2023
Record UNII
BW2EZZ6D6A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl (4aS,9bR)-6-bromo-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indole-2-carboxylate
Systematic Name English
(4aS,9bR)-Ethyl 6-bromo-3,4,4a,5-tetrahydro-1H-pyrido[4,3-b]indole-2(9bH)-carboxylate
Systematic Name English
2H-Pyrido[4,3-b]indole-2-carboxylic acid, 6-bromo-1,3,4,4a,5,9b-hexahydro-, ethyl ester, (4aS,9bR)-
Systematic Name English
Code System Code Type Description
PUBCHEM
59317960
Created by admin on Sat Dec 16 19:57:16 GMT 2023 , Edited by admin on Sat Dec 16 19:57:16 GMT 2023
PRIMARY
FDA UNII
BW2EZZ6D6A
Created by admin on Sat Dec 16 19:57:16 GMT 2023 , Edited by admin on Sat Dec 16 19:57:16 GMT 2023
PRIMARY
CAS
1059630-08-8
Created by admin on Sat Dec 16 19:57:16 GMT 2023 , Edited by admin on Sat Dec 16 19:57:16 GMT 2023
PRIMARY