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D034

(−)-Butaclamol hydrochloride

solid

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About This Item

Empirical Formula (Hill Notation):
C25H31NO · HCl
CAS Number:
55528-08-0
Molecular Weight:
397.98
NACRES:
NA.77
PubChem Substance ID:
24893227
UNSPSC Code:
12352200
MDL number:
MFCD00082308
Form:
solid
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form

solid

optical activity

[α]27/D −222° in methanol(lit.)

color

white

solubility

H2O: 0.25 mg/mL, ethanol: 1 mg/mL, 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 5.4 mg/mL, alcohol-water mixtures: soluble (Dissolve solid in alcohol and dilute with water.)

SMILES string

Cl[H].[H][C@]12C[C@](O)(CCN1C[C@]3([H])c4ccccc4CCc5cccc2c35)C(C)(C)C

InChI

1S/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-;/m1./s1

InChI key

QZRUMKUMFJJARD-OMMJFLKZSA-N

Biochem/physiol Actions

Dopamine receptor antagonist; less active enantiomer.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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