O-Methyltubulosine
Basic information
- CAS
5263-31-0- Standard SMILES
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1ccc(OC)cc21- InChIKey
YQCYWTNBMKOEPG-CWYCPHMGSA-N- Molecular formula
- C30H39N3O3
- Average molar mass
- 489.6 g/mol
- Monoisotopic mass
- 489.29914211
Overview
emetine deriv
Names & identifiers
- Preferred name
- O-Methyltubulosine
- IUPAC
- (2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
- English name
- (-)-8',10,11-Trimethoxytubulosan
- Molecular formula
- C30H39N3O3
- Molecular weight
- 489.65
Names & synonyms
O-MethyltubulosineTubulosine, O-methyl-5263-31-0Tubulosan, 8',10,11-trimethoxy-NSC-131548EC2567JY2TNZ-72RefChem:167277(-)-O-Methyltubulosine(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizineMETHYLTUBULOSINENSC 131548
Show more names
(-)-8',10,11-Trimethoxytubulosan2H-Benzo[a]quinolizine, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-6-methoxy-1H-pyrido[3,4-b]indol-1-yl]methyl]-, (2S,3R,11bS)-
TUBULOSINE, O-METHYLUNII-EC2567JY2TTubulosan,10,11-trimethoxy-NSC131548(2S,3R,11BS)-3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2-(((1R)-2,3,4,9-TETRAHYDRO-6-METHOXY-1H-PYRIDO(3,4-B)INDOL-1-YL)METHYL)-2H-BENZO(A)QUINOLIZINE2H-BENZO(A)QUINOLIZINE, 3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2-(((1R)-2,3,4,9-TETRAHYDRO-6-METHOXY-1H-PYRIDO(3,4-B)INDOL-1-YL)METHYL)-, (2S,3R,11BS)-
Database identifiers
- CAS
5263-31-0
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 738
Physicochemical properties
- FDA UNII
- 2567 JY2T · EC2567JY2T
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Compound notes
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