Buprenorphine

CAS Registry Number®

52485-79-7
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CAS Name

Buprenorphine

Molecular Formula

C29H41NO4

Molecular Mass

467.64

Cite this Page

Buprenorphine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52485-79-7 (retrieved 2024-05-28) (CAS RN: 52485-79-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    209 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1

InChIKey

InChIKey=RMRJXGBAOAMLHD-IHFGGWKQSA-N

SMILES

O(C)[C@@]12[C@]3([C@]45[C@@]([C@](N(CC6CC6)CC4)(CC7=C5C(O3)=C(O)C=C7)[H])(C[C@@]1([C@](C(C)(C)C)(C)O)[H])CC2)[H]

Canonical SMILES

OC1=CC=C2C3=C1OC4C5(OC)CCC6(CC5C(O)(C)C(C)(C)C)C(N(CCC346)CC7CC7)C2

Other Names for this Substance

  • 6,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-α-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-α-methyl-, (αS,5α,7α)-
  • 6,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-α-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-α-methyl-, [5α,7α(S)]-
  • S,5α,7α)-17-(Cyclopropylmethyl)-α-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-α-methyl-6,14-ethenomorphinan-7-methanol
  • RX 6029M
  • Buprenorphine

Deleted or Replaced CAS Registry Numbers

22152-15-4

CAS INSIGHTSTM
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