Chemical Properties of Pilocarpine (CAS 92-13-7)

InChI

InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3

InChI Key

QCHFTSOMWOSFHM-UHFFFAOYSA-N

Formula

C11H16N2O2

SMILES

CCC1C(=O)OCC1Cc1cncn1C

Molecular Weight¹

208.26

CAS

92-13-7

Other Names

2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-
(3S-cis)-3-Ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone
Imidazole-5-butyric acid, «alpha»-ethyl-«beta»-(hydroxymethyl)-1-methyl-, «gamma»-lactone
Pilocarpin
Pilocarpol
Pilocarpine, (+)-
(+)-Pilocarpine
Pilokarpin
Syncarpine
Ocusert P 20
3-Ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-2(3H)-furanone-, (3S,4R)-
Ocusert Pilo

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.
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
log₁₀WS	-3.69		Crippen Calculated Property
logP_oct/wat	1.162		Crippen Calculated Property
McVol	162.930	ml/mol	McGowan Calculated Property
I_np	[2014.00; 2060.00]
I_np	2060.00		NIST
I_np	2014.00		NIST
I_np	2060.00		NIST

Similar Compounds

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