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Methyl 17-methyl-2-oxo-3,9,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),4,6,8,11,13,15-heptaene-5-carboxylate

HCID 178917282
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
87246-22-8
Standard SMILES
COC(=O)c1ccc2nc3c4ccccc4n(C)c3c(=O)n2c1
InChIKey
PXFXIAQINQGYMN-UHFFFAOYSA-N
Molecular formula
C17H13N3O3
Average molar mass
307.3 g/mol

Names & identifiers

Preferred name
Methyl 17-methyl-2-oxo-3,9,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),4,6,8,11,13,15-heptaene-5-carboxylate
IUPAC
methyl 17-methyl-2-oxo-3,9,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),4,6,8,11,13,15-heptaene-5-carboxylate
English name
MEGA-12
Molecular formula
C17H13N3O3
Molecular weight
307.3

Names & synonyms

MEGA-12dodecanoyl-N-methylglucamideN-DODECANOYL-N-METHYLGLUCAMIDEN-DODECANOYL-N-METHYL-D-GLUCAMIDEN-Dodecanoyl-N-methyl-D-glucamineMEGA-12, N-Dodecanoyl-N-methyl-D-glucaminePyrido[1',2':1,2]pyrimido[5,4-b]indole-9-carboxylic acid, 5,6-dihydro-5-methyl-6-oxo-, methyl ester

Database identifiers

CAS
87246-22-8

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
63.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Formal charge
0
Complexity
651

Physicochemical properties

storage temp.
20 °C · −20°C

Chemistry & industry

Suppliers7 total

广州市宸宇化工有限责任公司[email protected]
SPECTRUM-USP[email protected]
广州锐风生物科技有限公司—
SIGMA—
上海甄准生物科技有限公司15800340161 · [email protected]
SIGMAALDRICH—
Advance Scientific & Chemical[email protected]

Related reactions

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Compound notes

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