Catalog Number:
AG00HAQK
Chemical Name:
(2S)-2-hydroxy-2-phenylacetic acid; (4aS,9bR)-6-bromo-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole
CAS Number:
1059630-13-5
Molecular Formula:
C19H21BrN2O3
Molecular Weight:
405.2856
MDL Number:
MFCD29923354
IUPAC Name:
(4aS,9bR)-6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole;(2S)-2-hydroxy-2-phenylacetic acid
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
InChI Key:
KJDBEPXSDXUHIS-PCUCGQLRSA-N
SMILES:
OC(=O)[C@H](c1ccccc1)O.Brc1cccc2c1N[C@@H]1[C@H]2CNCC1
