TRIMETHAPHAN CAMSYLATE

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Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 8W556014K9
Parent Compound: TRIMETHAPHAN

Structure
InChI Key HALWUDBBYKMYPW-UHFFFAOYSA-M
Smile CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1
InChI
InChI=1S/C22H25N2OS.C10H16O4S/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h1-6,8-11,19-21H,7,12-16H2;7H,3-6H2,1-2H3,(H,12,13,14)/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H40N2O5S2
Molecular Weight 596.82
AlogP 3.66
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 23.55
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Neuronal acetylcholine receptor; alpha3/beta4 antagonist ISBN PubMed Wikipedia Wikipedia

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL1245
FDA SRS 8W556014K9
PubChem 44602409
SureChEMBL SCHEMBL122467
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