(-)-Heroin hydrochloride

CAS Registry Number®

1502-95-0
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CAS Name

(-)-Heroin hydrochloride

Molecular Formula

C21H23NO5.ClH

Cite this Page

(-)-Heroin hydrochloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1502-95-0 (retrieved 2021-07-25) (CAS RN: 1502-95-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    243-244 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

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

InChIKey=FZJYQGFGNHGSFX-PVQKIFDLSA-N

SMILES

O(C(C)=O)[C@@H]1[C@]2([C@]34C=5C(O2)=C(OC(C)=O)C=CC5C[C@]([C@@]3(C=C1)[H])(N(C)CC4)[H])[H].Cl

Canonical SMILES

Cl.O=C(OC1=CC=C2C3=C1OC4C(OC(=O)C)C=CC5C(N(C)CCC345)C2)C

Other Names for this Substance

  • Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5α,6α)-, diacetate (ester), hydrochloride
  • Morphinan-3,6α-diol, 7,8-didehydro-4,5α-epoxy-17-methyl-, diacetate (ester), hydrochloride
  • Diacetylmorphine hydrochloride
  • Diamorphine hydrochloride
  • Heroin hydrochloride

Deleted or Replaced CAS Registry Numbers

4154-45-4