Garamine

AlkaPlorer ID: AK006826

Synonym: None

IUPAC Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol

Structure

SMILES: C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O)N)N)O

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InChI: InChI=1S/C13H27N3O6/c1-13(20)4-21-12(9(19)11(13)16-2)22-10-6(15)3-5(14)7(17)8(10)18/h5-12,16-20H,3-4,14-15H2,1-2H3/t5-,6+,7+,8-,9+,10-,11+,12+,13-/m0/s1

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InChIKey: ONKJLIUSEXIAKL-QUDADGMASA-N

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Properties Information

Molecule Weight: 321.374

TPSA: 163.45

MolLogP: -3.7920999999999947

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information