Heroin

CAS Registry Number®

561-27-3
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CAS Name

Heroin

Molecular Formula

C21H23NO5

Molecular Mass

369.41

Cite this Page

Heroin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=561-27-3 (retrieved 2024-06-21) (CAS RN: 561-27-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    272-274 °C @ Press: 12 Torr
  • Melting Point (1)

    173 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C21H23NO5/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/t14-,15+,17-,20-,21-/m0/s1

InChIKey

InChIKey=GVGLGOZIDCSQPN-PVHGPHFFSA-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]

Canonical SMILES

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)-, 3,6-diacetate
  • Morphinan-3,6α-diol, 7,8-didehydro-4,5α-epoxy-17-methyl-, diacetate (ester)
  • Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5α,6α)-, diacetate (ester)
  • Morphine, diacetate
  • Acetomorphine

Deleted or Replaced CAS Registry Numbers

2078-90-2

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