METOCURINE IODIDE

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Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: O0U0E87X7F

Structure
InChI Key DIGFQJFCDPKEPF-OIUSMDOTSA-L
Smile COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3.[I-].[I-]
InChI
InChI=1S/C40H48N2O6.2HI/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36;;/h9-14,21-24,31-32H,15-20H2,1-8H3;2*1H/q+2;;/p-2/t31-,32+;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H48I2N2O6
Molecular Weight 906.64
AlogP 7.45
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 55.38
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 48.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscle-type nicotinic acetylcholine receptor antagonist PubMed Wikipedia

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 7601-55-0
ChEBI 6901
ChEMBL CHEMBL1739
DrugBank DB00416
EPA CompTox DTXSID9022944
FDA SRS O0U0E87X7F
PubChem 24244
SureChEMBL SCHEMBL415745
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