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Substance Name: 18Alpha-glycyrrhetinic acid
RN: 1449-05-4
InChIKey: MPDGHEJMBKOTSU-PMTKVOBESA-N

Note

  • A gap junction inhibitor.

Molecular Formula

  • C30-H46-O4

Molecular Weight

  • 470.689
 
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Names and Synonyms

Name of Substance

  • 18alpha-Glycyrrhetinic acid

Synonyms

  • 18alpha-Glycyrrhetinic acid
  • 3-beta-Hydroxy-11-oxo-18-alpha-olean-12-en-30-oic acid
  • beta-Glycyrrhetinic acid
  • BRN 2956366
  • CCRIS 3963
  • EINECS 215-907-9
  • NSC 35350

Systematic Names

  • (3beta,18alpha,20beta)-3-Hydroxy-11-oxoolean-12-en-29-oic acid
  • 18-alpha-Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-
  • 18alpha-Glycyrrhetinic acid

Registry Numbers

CAS Registry Number

  • 1449-05-4

System Generated Number

  • 0001449054

Structure Descriptors

InChI

1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21+,22+,23-,26-,27+,28+,29-,30-/m1/s1

InChIKey

MPDGHEJMBKOTSU-PMTKVOBESA-N

Smiles

C12=CC([C@@H]3[C@@]4([C@H](C(C)(C)[C@H](CC4)O)CC[C@@]3(C)[C@@]2(CC[C@@]2([C@@H]1C[C@@](C(=O)O)(CC2)C)C)C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 455mg/kg (455mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

GASTROINTESTINAL: OTHER CHANGES
Chemical and Pharmaceutical Bulletin. Vol. 28, Pg. 3449, 1980.
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02068,
mouse LD50 oral 560mg/kg (560mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

GASTROINTESTINAL: OTHER CHANGES
Chemical and Pharmaceutical Bulletin. Vol. 28, Pg. 3449, 1980.