Phenaglycodol

HCID 6617
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Basic information

CAS
79-93-6
Standard SMILES
CC(C)(O)C(C)(O)c1ccc(Cl)cc1
InChIKey
HTYIXCKSEQQCJO-UHFFFAOYSA-N
Molecular formula
C11H15ClO2
Average molar mass
214.692 g/mol
Monoisotopic mass
214.0760574

Names & identifiers

Preferred name
Phenaglycodol
IUPAC
2-(4-Chlorophenyl)-3-methylbutane-2,3-diol
English name
phenaglycodol
Molecular formula
C11H15ClO2
Molecular weight
214.69

Names & synonyms

AcaloStesilUltranAtadiolAcalmidFelixinSinforilPuasitalSedapsinphenaglycodol

Database identifiers

CAS
79-93-6
PubChem CID
6617
DTXSID
DTXSID6023444
ChEMBL
CHEMBL2105293
ChEBI
CHEBI:134889
UNII
LMQ31KU50K
EC Number
201-235-3
Nikkaji
J4.244G

Properties

Physicochemical properties

Melting point
77 · 77-78℃
Boiling point
308.17 °C · 308.17°C (rough estimate)
Density
1.1153 · 1.1153 (rough estimate)
refractive index
1.458 · 1.4580 (estimate)
storage temp.
-20 °C · -20°C Freezer
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

Safety data

Toxicity
LD50 oral in rat: 832mg/kg

Chemistry & industry

Applications

UsesPhenaglycodol is a propanediol-type tranquilizer that can lead to gynecomastia and urinary steroid excretion in humans that are treated with the drug.

Upstream & downstream products

Suppliers10 total

艾吉析科技（上海）有限公司17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百奥创新科技有限公司15522676233 · [email protected]

Additional notes

DefinitionChEBI: Phenaglycodol is an alkylbenzene.

Related reactions

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