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Thalifaberidine

HCID 157828
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Basic information

CAS
160568-13-8
Standard SMILES
COc1cc2c(cc1O)CCN(C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@H]2c4c(c(OC)c(OC)c(OC)c4-3)CCN2C)cc1
InChIKey
ASHXFBBPKYCWEY-VMPREFPWSA-N
Molecular formula
C39H44N2O8
Average molar mass
668.787 g/mol
Monoisotopic mass
668.30976637

Names & identifiers

Preferred name
Thalifaberidine
IUPAC
(6aS)-8-(4-{[(1S)-6-Hydroxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol
English name
thalifaberidine
Molecular formula
C39H44N2O8
Molecular weight
668.78

Names & synonyms

thalifaberidine4H-Dibenzo[de,g]quinolin-9-ol, 5,6,6a,7-tetrahydro-1,2,3,10-tetramethoxy-6-methyl-8-[4-[(1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]-, [S-(R*,R*)]- (9CI)

Database identifiers

CAS
160568-13-8
PubChem CID
157828
DTXSID
DTXSID00166938
ChEMBL
CHEMBL446572
Nikkaji
J623.371F

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