N14-Deacetylcoprogen; N14,N14-Di-Me, N14-oxide 

AlkaPlorer ID: AK294490

Synonym: Nα-Dimethylcoprogen B Nα-oxide 

IUPAC Name: None

Structure

SMILES: C/C(=C\C(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)/C=C(\C)CCOC(=O)C(CCCN(O)C(=O)/C=C(\C)CCO)[N+](C)(C)[O-])NC1=O)CCO

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InChI: InChI=1S/C35H58N6O13/c1-24(12-18-42)21-30(44)38(50)15-6-9-27-33(47)37-28(34(48)36-27)10-7-16-39(51)32(46)23-26(3)14-20-54-35(49)29(41(4,5)53)11-8-17-40(52)31(45)22-25(2)13-19-43/h21-23,27-29,42-43,50-52H,6-20H2,1-5H3,(H,36,48)(H,37,47)/b24-21+,25-22+,26-23+

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InChIKey: QSSNZYXFKRFLJS-QVLYLZCXSA-N

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Reference

CAS: 1617538-60-9

Source

Properties Information

Molecule Weight: 770.878

TPSA: 269.64

MolLogP: 0.4434000000000074

Number of H-Donors: 7

Number of H-Acceptors: 13

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information