Chemical Properties of Pentazocine (CAS 359-83-1)

InChI

InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3

InChI Key

VOKSWYLNZZRQPF-UHFFFAOYSA-N

Formula

C19H27NO

SMILES

CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C

Molecular Weight¹

285.42

CAS

359-83-1

Other Names

(.+/-.)-Pentazocine
(2R*,6R*,11R*)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocin-8-ol
1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocin-8-ol
2'-Hydroxy-5,9-dimethyl-2-(3,3-dimethylallyl)-6,7-benzomorphan
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, (2R,6R,11R)-rel-
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, (2«alpha»,6«alpha»,11R)-
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, (2«alpha»,6«alpha»,11R*)-
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, (2Â«alphaÂ»,6Â«alphaÂ»,11R)-
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, (2Â«alphaÂ»,6Â«alphaÂ»,11R*)-
2-(3,3-Dimethylallyl)-2',2'-hydroxy-5,9-dimethyl-6,7-benzomorphan
2-(3,3-Dimethylallyl)cyclazocine
2-Dimethylallyl-5,9-dimethyl-2'-hydroxybenzomorphan
3-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
Fortalgesic
Fortalin
Fortral
II-C-2
KF-1820
L-pentazocine
Liticon
NIH 7958
NSC-107430
Pentagin
Pentazocaine
Pentazocin
Sosegon
Soseton
Sosigon
Talwan
Talwin
Win 20228
dl-2'-Hydroxy-5,9-dimethyl-2-(3,3-dimethylallyl)-6,7-benzomorphan
dl-pentazocine

log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
I_np : Non-polar retention indices.
T_fus : Normal melting (fusion) point (K).
¹: Molecular weight from the IUPAC atomic weights tables.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
log₁₀WS	-3.80		Aq. Sol...
logP_oct/wat	3.883		Crippen Calculated Property
McVol	244.640	ml/mol	McGowan Calculated Property
I_np	[2246.00; 2286.00]
I_np	2280.00		NIST
I_np	2270.00		NIST
I_np	2260.00		NIST
I_np	2280.00		NIST
I_np	2246.00		NIST
I_np	2285.00		NIST
I_np	2262.00		NIST
I_np	2246.00		NIST
I_np	2270.00		NIST
I_np	2280.00		NIST
I_np	2286.00		NIST
I_np	2286.00		NIST
I_np	2262.00		NIST
I_np	2265.00		NIST
I_np	2275.00		NIST
I_np	2280.00		NIST
I_np	2262.00		NIST
I_np	2260.00		NIST
T_fus	419.30	K	Aq. Sol...

Similar Compounds

Find more compounds similar to Pentazocine.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.