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Substance Name: Dehydrocholic acid [USP:INN:BAN:JAN]
RN: 81-23-2
UNII: NH5000009I
InChIKey: OHXPGWPVLFPUSM-KLRNGDHRSA-N

Note

  • A semisynthetic bile acid made from cholic acid. It is used as a cholagogue, hydrocholeretic, diuretic, and as a diagnostic aid.

Molecular Formula

  • C24-H34-O5

Molecular Weight

  • 402.5276
 

Classification Codes

  • Cholagogues and Choleretics
  • Choleretic
  • Drug / Therapeutic Agent
  • Gastrointestinal Agents
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Names and Synonyms

Name of Substance

  • Dehydrocholic acid
  • Dehydrocholic acid [USP:INN:BAN:JAN]

MeSH Heading

  • Dehydrocholic acid

Synonyms

  • 3,7,12-Triketo-5beta-cholanoic acid
  • 3,7,12-Triketocholanic acid
  • 3,7,12-Trioxo-5-beta-cholan-24-oic acid
  • 3,7,12-Trioxo-5beta-cholan-24-oic acid
  • 3,7,12-Trioxo-5beta-cholanic acid
  • 3,7,12-Trioxocholanic acid
  • 4-10-00-03478 (Beilstein Handbook Reference)
  • 5beta-Cholanic acid, 3,7,12-trioxo-
  • Acide dehydrocholique
  • Acide dehydrocholique [French]
  • Acide dehydrocholique [INN-French]
  • Acido dehidrocolico
  • Acido dehidrocolico [INN-Spanish]
  • Acido dehidrocolico [Spanish]
  • Acido deidrocolico
  • Acido deidrocolico [DCIT]
  • Acidum dehydrocholicum
  • Acidum dehydrocholicum [INN-Latin]
  • Acidum dehydrocholicum [Latin]
  • Acolen
  • Bilidren
  • Bilostat
  • Biochol
  • BRN 3226734
  • Cholagon
  • Cholan DH
  • Cholan-24-oic acid, 3,7,12-trioxo-, (5-beta)-
  • Cholic acid, dehydro-
  • Cholimed
  • Chologon
  • Decholin
  • Dee-Co
  • Dehychol
  • Dehycol
  • Dehycon
  • Dehydrocholic acid
  • Dehydrocholsaeure
  • Dehydrocholsaeure [German]
  • Dehystolin
  • Deidrocolico Vita
  • DHC
  • Didocol
  • Didrocolo
  • Dilabil
  • Doxycholpotassium
  • Drenobyl
  • EINECS 201-335-7
  • Erebile
  • Felacrinos
  • Hykolex
  • Ketochol
  • Ketocholanic acid
  • Khologon
  • Novocolin
  • NSC 8796
  • Oxycholin
  • Procholon
  • Sanocholen
  • Triketocholanic acid
  • UNII-NH5000009I

Systematic Names

  • 5-beta-Cholan-24-oic acid, 3,7,12-trioxo-
  • 5beta-Cholan-24-oic acid, 3,7,12-trioxo- (8CI)
  • Cholan-24-oic acid, 3,7,12-trioxo-, (5beta)-
  • Dehydrocholic acid

Registry Numbers

CAS Registry Number

  • 81-23-2

FDA UNII

  • NH5000009I

Related Registry Numbers

  • 145-41-5 (hydrochloride salt)
  • 7786-84-7 (magnesium salt)
  • 94107-86-5 (lithium salt)

System Generated Number

  • 0000081232

Structure Descriptors

InChI

1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1

InChIKey

OHXPGWPVLFPUSM-KLRNGDHRSA-N

Smiles

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1492mg/kg (1492mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Japanese Journal of Pharmacology. Vol. 22, Pg. 235, 1972.
mouse LD50 oral 3100mg/kg (3100mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 857, 1962.
mouse LD50 subcutaneous 1620mg/kg (1620mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.
rat LD50 intramuscular 1500mg/kg (1500mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 222, Pg. 244, 1954.
rat LD50 intravenous 750mg/kg (750mg/kg)   Drugs in Japan Vol. 6, Pg. 495, 1982.
rat LD50 oral 4gm/kg (4000mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 237 deg C   EXP
log P (octanol-water) 2.280 (none)   EST
Water Solubility 180 mg/L 15 EXP
Atmospheric OH Rate Constant 9.47E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.