Yohimbine

CAS Registry Number®

146-48-5

CAS Name

Yohimbine

Molecular Formula

C21H26N2O3

Molecular Mass

354.44

Cite this Page

Yohimbine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=146-48-5 (retrieved 2024-11-22) (CAS RN: 146-48-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    241 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1

InChIKey

InChIKey=BLGXFZZNTVWLAY-SCYLSFHTSA-N

SMILES

C(OC)(=O)[C@@H]1[C@]2(C[C@]3(C4=C(C=5C(N4)=CC=CC5)CCN3C[C@@]2(CC[C@@H]1O)[H])[H])[H]

Canonical SMILES

O=C(OC)C1C(O)CCC2CN3CCC=4C=5C=CC=CC5NC4C3CC12

Other Names for this Substance

  • Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16α,17α)-
  • Yohimban-16α-carboxylic acid, 17α-hydroxy-, methyl ester
  • Yohimbol-16α-carboxylic acid, methyl ester
  • Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.
  • Aphrodine

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Deleted or Replaced CAS Registry Numbers

54725-25-6, 80925-02-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration