Chemical Properties of 1H-pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro- (CAS 6052-68-2)

1H-pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-

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InChI
InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)
InChI Key
FSNCEEGOMTYXKY-UHFFFAOYSA-N
Formula
C12H12N2O2
SMILES
O=C([O-])C1Cc2c([nH]c3ccccc23)C[NH2+]1
Molecular Weight1
216.24
CAS
6052-68-2
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Physical Properties

Property Value Unit Source
log10WS -3.28 Crippen Calculated Property
logPoct/wat -1.576 Crippen Calculated Property
McVol 157.560 ml/mol McGowan Calculated Property

Similar Compounds

Nalmefene. 3-O,6-O,N-Triacetylnormorphine. 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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