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Substance Name: Heroin hydrochloride
RN: 1502-95-0
UNII: 8H672SHT8E
InChIKey: FZJYQGFGNHGSFX-PVQKIFDLSA-N

Note

  • A narcotic analgesic that may be habit-forming. It is a controlled substance (opium derivative) listed in the U.S. Code of Federal Regulations, Title 21 Parts 329.1, 1308.11 (1987). Sale is forbidden in the United States by Federal statute. (Merck Index, 11th ed)

Molecular Formula

  • C21-H23-N-O5.Cl-H

Molecular Weight

  • 405.8756
 

Classification Code

  • Reproductive Effect
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Names and Synonyms

Results Name

  • Heroin hydrochloride

Name of Substance

  • Diacetylmorphine hydrochloride [USP]

Synonyms

  • Diacetylmorphine HCl
  • Diacetylmorphine hydrochloride
  • Diamorphine hydrochloride
  • EINECS 216-124-5
  • Heroin hydrochloride
  • Heroine hydrochloride
  • Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, diacetate
  • Morphinan-3,6alpha-diol, 7,8-didehydro-4,5alpha-epoxy-17-methyl-,
  • Morphine, diacetate (ester), hydrochloride
  • NSC 302357
  • UNII-8H672SHT8E

Systematic Names

  • Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, diacetate (ester), hydrochloride
  • Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5alpha,6alpha)-, diacetate (ester), hydrochloride (9CI)
  • Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5alpha,6alpha)-,diacetate (ester), hydrochloride (9CI)
  • Morphinan-3,6alpha-diol, 7,8-didehydro-4,5alpha-epoxy-17-methyl-, diacetate (ester), hydrochloride (8CI)
  • O,O'-Diacetylmorphine hydrochloride

Registry Numbers

CAS Registry Number

  • 1502-95-0

FDA UNII

  • 8H672SHT8E

Related Registry Number

  • 561-27-3 (Parent)

System Generated Number

  • 0001502950

Molecular Formulas

Molecular Formula

  • C21-H23-N-O5.Cl-H

Molecular Formula Fragments

  • C21-H23-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23NO5.ClH/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20;/h4-7,14-15,17,20H,8-10H2,1-3H3;1H/t14-,15+,17-,20-,21-;/m0./s1

InChIKey

FZJYQGFGNHGSFX-PVQKIFDLSA-N

Smiles

Cl.CN1CC[C@]23[C@H]4Oc5c(OC(=O)C)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(=O)C)c35

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 60mg/kg (60mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 221, Pg. 266, 1976.
mouse LD50 intraperitoneal 240mg/kg (240mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 122, Pg. 434, 1959.
mouse LD50 intravenous 38mg/kg (38mg/kg)   Toxicology and Applied Pharmacology. Vol. 6, Pg. 334, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.500 (none)   EST
Water Solubility 1050 mg/L 25 EST
Vapor Pressure 4.93E-13 mm Hg 25 EST
Henry's Law Constant 6.33E-20 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.64E-10 cm3/molecule-sec 25 EST

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