Benzeneacetic acid, α-hydroxy-, (αS)-, compd. with (4aS,9bR)-6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole (1:1)

CAS Registry Number®

1059630-13-5
No image available.

CAS Name

Benzeneacetic acid, α-hydroxy-, (αS)-, compd. with (4aS,9bR)-6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole (1:1)

Molecular Formula

C11H13BrN2.C8H8O3

Cite this Page

Benzeneacetic acid, α-hydroxy-, (αS)-, compd. with (4aS,9bR)-6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1059630-13-5 (retrieved 2024-08-31) (CAS RN: 1059630-13-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H13BrN2.C8H8O3/c12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9;9-7(8(10)11)6-4-2-1-3-5-6/h1-3,8,10,13-14H,4-6H2;1-5,7,9H,(H,10,11)/t8-,10-;7-/m00/s1

InChIKey

InChIKey=KJDBEPXSDXUHIS-PCUCGQLRSA-N

SMILES

BrC1=C2C([C@]3([C@@](N2)(CCNC3)[H])[H])=CC=C1.[C@H](C(O)=O)(O)C1=CC=CC=C1

Canonical SMILES

O=C(O)C(O)C=1C=CC=CC1.BrC1=CC=CC2=C1NC3CCNCC23

Other Names for this Substance

  • Benzeneacetic acid, α-hydroxy-, (αS)-, compd. with (4aS,9bR)-6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole (1:1)