Deoxycholic acid
Suppliers
Names
[ CAS No. ]:
83-44-3
[ Name ]:
Deoxycholic acid
[Synonym ]:
7-DEOXYCHOLIC ACID
Cholan-24-oic acid, 3,12-dihydroxy-, (3α,5β,12α)-
5b-Deoxycholic acid
Deoxycholatic acid
EINECS 201-478-5
Deoxycholic acid
17b-(1-Methyl-3-carboxypropyl)etiocholane-3a,12a-diol
deoxy-Cholic acid
(3α,5β,12α)-3,12-Dihydroxycholan-24-oic acid
7α-Deoxycholic acid
Kybella
3α,12α-dihydroxy-5β-cholan-24-oic acid
ATX-101
5b-Cholanic acid-3a,12a-diol
Dihydroxycholanoic acid
Cholic acid, deoxy-
(3a,5b,12a)-3,12-Dihydroxy-5-cholan-24-oic Acid
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MFCD00003673
Chemical & Physical Properties
[ Density]:
1.1±0.1 g/cm3
[ Boiling Point ]:
547.1±35.0 °C at 760 mmHg
[ Melting Point ]:
171-174 °C(lit.)
[ Molecular Formula ]:
C24H40O4
[ Molecular Weight ]:
392.572
[ Flash Point ]:
298.8±22.4 °C
[ Exact Mass ]:
392.292664
[ PSA ]:
77.76000
[ LogP ]:
4.66
[ Vapour Pressure ]:
0.0±3.3 mmHg at 25°C
[ Index of Refraction ]:
1.543
[ Water Solubility ]:
0.24 g/L (15 ºC)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- FZ2100000
- CHEMICAL NAME :
- 5-beta-Cholan-24-oic acid, 3-alpha,12-alpha-dihydroxy-
- CAS REGISTRY NUMBER :
- 83-44-3
- BEILSTEIN REFERENCE NO. :
- 3219882
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 15
- MOLECULAR FORMULA :
- C24-H40-O4
- MOLECULAR WEIGHT :
- 392.64
- WISWESSER LINE NOTATION :
- L E5 B666TJ A1 DQ E1 FY1&2VQ OQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Behavioral - food intake (animal) Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 130 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2700 mg/kg/10W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1120 mg/kg/22W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1400 mg/kg/22W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 166 mg/kg
- SEX/DURATION :
- female 12-19 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
MUTATION DATA
- TYPE OF TEST :
- Morphological transformation
- TEST SYSTEM :
- Rodent - hamster Embryo
- DOSE/DURATION :
- 7250 ug/L
- REFERENCE :
- TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 9,177,1981 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80398 No. of Facilities: 153 (estimated) No. of Industries: 2 No. of Occupations: 7 No. of Employees: 3527 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80398 No. of Facilities: 82 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 2416 (estimated) No. of Female Employees: 1577 (estimated)
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H302
[ Precautionary Statements ]:
P301 + P312 + P330
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves
[ Hazard Codes ]:
Xn:Harmful
[ Risk Phrases ]:
R22;R36/37/38
[ Safety Phrases ]:
S26-S36-S37/39
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
3
[ RTECS ]:
FZ2100000
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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