Butaclamol hydrochloride

CAS Registry Number®

36504-94-6
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CAS Name

Butaclamol hydrochloride

Molecular Formula

C25H31NO.ClH

Cite this Page

Butaclamol hydrochloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=36504-94-6 (retrieved 2022-05-19) (CAS RN: 36504-94-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C25H31NO.ClH/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25;/h4-10,21-22,27H,11-16H2,1-3H3;1H/t21-,22-,25-;/s2

InChIKey

InChIKey=QZRUMKUMFJJARD-MACWAGGUNA-N

SMILES

C(C)(C)(C)[C@]1(O)C[C@@]2(C=3C=4[C@@](C=5C(CCC4C=CC3)=CC=CC5)(CN2CC1)[H])[H].Cl

Canonical SMILES

Cl.OC1(CCN2CC3C=4C=CC=CC4CCC5=CC=CC(=C53)C2C1)C(C)(C)C

Other Names for this Substance

  • 1H-Benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol, 3-(1,1-dimethylethyl)-2,3,4,4a,8,9,13b,14-octahydro-, hydrochloride (1:1), (3R,4aR,13bR)-rel-
  • 1H-Benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol, 3-(1,1-dimethylethyl)-2,3,4,4a,8,9,13b,14-octahydro-, hydrochloride, (3α,4aα,13bβ)-(±)-
  • 1H-Benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol, 3-(1,1-dimethylethyl)-2,3,4,4a,8,9,13b,14-octahydro-, hydrochloride, (3R,4aR,13bR)-rel-
  • Butaclamol hydrochloride
  • (±)-Butaclamol hydrochloride