D034
(−)-Butaclamol hydrochloride
solid
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About This Item
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
1 of 1
This Item | |||
|---|---|---|---|
| form solid | form solid | form solid | form solid |
| solubility H2O: 0.25 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.), ethanol: 1 mg/mL | solubility 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: >21 mg/mL | solubility H2O: 1.8 mg/mL, 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 7.0 mg/mL | solubility DMSO: >10 mg/mL, 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 20 mg/mL |
| color white | color white | color tan | color white |
| optical activity [α]27/D −222° in methanol(lit.) | optical activity - | optical activity - | optical activity - |
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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