Molecular Identity
Intoplicine
16-[3-(dimethylamino)propylamino]-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol
PubChem CID: 65954
Intoplicine is a pyridoindole.
2D Structure
Properties
C21H24N4O
Molecular Formula
348.40
Molecular Weight
g/mol
348.1950
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
64.2
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
473
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CN=C(C2=C1NC3=C2C4=C(C=C3)C=C(C=C4)O)NCCCN(C)CIsomeric SMILES
SMILES: CC1=CN=C(C2=C1NC3=C2C4=C(C=C3)C=C(C=C4)O)NCCCN(C)CSynonyms(20)
Intoplicine125974-72-3intoplicinaFB2CIN6HMIRP-60475 FREE BASEDTXSID801550227H-Benzo(e)pyrido(4,3-b)indol-3-ol, 11-((3-(dimethylamino)propyl)amino)-8-methyl-NSC645008intoplicinintoplicinumRefChem:148447DTXCID5077513RP60475F7H-benzo(e)pyrido(4,3-b)indol-3-ol, 11-((3-(dimethylamino)propyl)amino)-8-methyl11-(3-dimethylaminopropylamino)-3-hydroxy-8-methyl-7H-benzo(e)pyrido(4,3-b)indole dimethanesulfonate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Intoplicine
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