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Substance Name: Cannabidiol [USAN]
RN: 13956-29-1
UNII: 19GBJ60SN5
InChIKey: QHMBSVQNZZTUGM-ZWKOTPCHSA-N

Note

  • Compound isolated from Cannabis sativa extract.

Molecular Formula

  • C21-H30-O2

Molecular Weight

  • 314.466
 

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Reproductive Effect
  • Treatment of Seizures

Names and Synonyms

Name of Substance

  • Cannabidiol
  • Cannabidiol [USAN]

MeSH Heading

  • Cannabidiol

Synonyms

  • (-)-Cannabidiol
  • (-)-CBD
  • (-)-trans-2-p-Mentha-1,8-dien-3-yl-5-pentylresorcinol
  • (-)-trans-Cannabidiol
  • 1,3-Benzenediol, 2-(3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-, (1R-trans)-
  • Cannabidiol
  • CBD
  • delta1(2)-trans-Cannabidiol
  • Epidiolex
  • GWP42003-P
  • UNII-19GBJ60SN5
  • ZYN002

Systematic Names

  • 1,3-Benzenediol, 2-(3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-, (1R-trans)-
  • Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (-)-(E)-

Registry Numbers

CAS Registry Number

  • 13956-29-1

FDA UNII

  • 19GBJ60SN5

Other Registry Numbers

  • 18436-46-9
  • 20547-66-4
  • 521-37-9

System Generated Number

  • 0013956291

Structure Descriptors

InChI

1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1

InChIKey

QHMBSVQNZZTUGM-ZWKOTPCHSA-N

Smiles

CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(=C)C)c(O)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous > 254mg/kg (254mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 154, 1946.
monkey LD50 intravenous 212mg/kg (212mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)
Toxicology and Applied Pharmacology. Vol. 58, Pg. 118, 1981.
mouse LD50 intravenous 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 213, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 67 deg C   EXP
log P (octanol-water) 8.010 (none)   EST
Atmospheric OH Rate Constant 3.52E-10 cm3/molecule-sec 25 EST

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