(+/-)-butaclamol hcl

Modify Date: 2025-08-26 01:05:41

(+/-)-butaclamol hcl Structure
(+/-)-butaclamol hcl structure
Common Name (+/-)-butaclamol hcl
CAS Number 36504-94-6 Molecular Weight 361.52000
Density 1.16g/cm3 Boiling Point 500.3ºC at 760mmHg
Molecular Formula C25H31NO Melting Point N/A
MSDS Chinese USA Flash Point 239.9ºC

 Names

Name (3S,4aS,13bS)-3-(2-Methyl-2-propanyl)-2,3,4,4a,8,9,13b,14-octahyd ro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol

 Chemical & Physical Properties

Density 1.16g/cm3
Boiling Point 500.3ºC at 760mmHg
Molecular Formula C25H31NO
Molecular Weight 361.52000
Flash Point 239.9ºC
Exact Mass 361.24100
PSA 23.47000
LogP 4.78270
InChIKey QZRUMKUMFJJARD-OMMJFLKZSA-N
SMILES CC(C)(C)C1(O)CCN2CC3c4ccccc4CCc4cccc(c43)C2C1.Cl

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DE8039700
CHEMICAL NAME :
1H-Benzo(6,7)cyclohepta(1,2,3-de)pyrido(2,1-alpha)iso quinolin-3-ol, 2,3,4,4a,8,9,13b,14- octahydro-3-(1,1-dimethylethyl)-, hydrochloride, (3-alpha,4a-alpha,13b-beta)-(+-)-
CAS REGISTRY NUMBER :
36504-94-6
LAST UPDATED :
198502
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C25-H31-N-O.Cl-H
MOLECULAR WEIGHT :
398.03

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
195 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 33,1417,1983

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS DE8039700

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