Details of the Drug

General Information of Drug (ID: DMROZL8)

Drug Name

Tonazocine mesylate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

453.6

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

7

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C24H39NO5S
IUPAC Name: 1-[(1S,9R,13S)-4-hydroxy-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]octan-3-one;methanesulfonic acid
Canonical SMILES: CCCCCC(=O)CC[C@@]1([C@H]2CC3=C([C@@]1(CCN2C)C)C=C(C=C3)O)C.CS(=O)(=O)O
InChI: InChI=1S/C23H35NO2.CH4O3S/c1-5-6-7-8-18(25)11-12-23(3)21-15-17-9-10-19(26)16-20(17)22(23,2)13-14-24(21)4;1-5(2,3)4/h9-10,16,21,26H,5-8,11-15H2,1-4H3;1H3,(H,2,3,4)/t21-,22+,23-;/m1./s1
InChIKey: CQSTVPYARYSBNS-HZLAGBECSA-N