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Substance
ID:182670
Structure
Similarity
Functional Group
Text
ID:5330
Deoxycholic acid
Sigma Aldrich
ID: D4297
Names and Identifiers
IUPAC Traditional name
deoxycholic acid
Synonyms
Desoxycholic acid
3α,12α-Dihydroxy-5β-cholanic acid
Deoxycholic acid
7-Deoxycholic Acid
IUPAC name
(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0
2
,
7
.0
1
1
,
1
5
]heptadecan-14-yl]pentanoic acid
Registration numbers
Beilstein Number
3219882
MDL Number
MFCD00003673
CAS Number
83-44-3
EC Number
201-478-5
PubChem SID
24893857
Properties
Product Information
Cation Traces
Ca: ≤0.01%
Cu: ≤0.0005%
NH4+: ≤0.05%
Al: ≤0.001%
Zn: ≤0.0005%
K: ≤0.005%
Mg: ≤0.005%
Pb: ≤0.001%
Na: ≤0.02%
Fe: ≤0.005%
Ignition Residue
≤0.1%
Mol. Weight
average mol wt 1200-5000
Impurities
≤0.1% Insoluble matter
≤0.005% Phosphorus (P)
Purity
≥99% (TLC and titration)
Description
anionic
Pharmacology Properties
Gene Information
human ... ATIC(471)
Safety Information
GHS Hazard statements
H302
-
H315
-
H319
-
H335
GHS Signal Word
Warning
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
European Hazard Symbols
Harmful (Xn)
RTECS
FZ2100000
GHS Precautionary statements
P261
-
P305+P351+P338
Risk Statements
22
-
36/37/38
Safety Statements
26
-
36
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
German water hazard class
3
Physical Property
Aggregation Number of Micelle
3-12
Critical Micelle Concentration
2-6
Melting Point
171-174 °C(lit.)
Hydrophilic Lipophilic Balance
16
Molecule Details
No Data Available
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Molecular Spectra
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References
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Names and Identifiers
Registration numbers
Properties
Molecule Details
Molecular Spectra
References