Chemical Properties of Yohimbine (CAS 146-48-5)

Yohimbine

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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+/m1/s1
InChI Key
BLGXFZZNTVWLAY-MHUZEKMJSA-N
Formula
C21H26N2O3
SMILES
COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21
Molecular Weight1
354.44
CAS
146-48-5
Other Names
  • Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16«alpha»,17«alpha»)-
  • Yohimban-16«alpha»-carboxylic acid, 17«alpha»-hydroxy-, methyl ester
  • Aphrodine
  • Aphrosol
  • Corynine
  • Quebrachin
  • Quebrachine
  • Yohimbic acid methyl ester
  • Yohimbin
  • 17-Hydroxyyohimban-16-carboxylic acid methyl ester
  • Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.
  • (+)-Yohimbine
  • Yohimbol-16«alpha»-carboxylic acid, methyl ester
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Physical Properties

Property Value Unit Source
log10WS -4.09 Crippen Calculated Property
logPoct/wat 2.165 Crippen Calculated Property
McVol 268.520 ml/mol McGowan Calculated Property
Inp [3130.00; 3175.00]   Show Hide
Inp 3150.00 NIST
Inp 3168.00 NIST
Inp 3130.00 NIST
Inp 3175.00 NIST

Similar Compounds

Ibogaine. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

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Sources

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