Codeine

CAS Registry Number®

76-57-3
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CAS Name

Codeine

Molecular Formula

C18H21NO3

Molecular Mass

299.36

Cite this Page

Codeine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76-57-3 (retrieved 2024-07-16) (CAS RN: 76-57-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    250 °C @ Press: 22 Torr
  • Melting Point (1)

    157.5 °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/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1

InChIKey

InChIKey=OROGSEYTTFOCAN-DNJOTXNNSA-N

SMILES

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

Canonical SMILES

OC1C=CC2C3N(C)CCC42C5=C(OC14)C(OC)=CC=C5C3

Other Names for this Substance

  • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5α,6α)-
  • Morphinan-6α-ol, 7,8-didehydro-4,5α-epoxy-3-methoxy-17-methyl-
  • (5α,6α)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol
  • Codeine
  • Methylmorphine

Deleted or Replaced CAS Registry Numbers

79990-78-6, 120210-43-7, 779974-38-8, 894410-98-1, 1071760-39-8, 1080067-84-0, 1469752-78-0