Analyte Name

Capreomycin IIA Trihydrochloride

CAS Number

71730-99-9

Molecular Formula

C19H35Cl3N12O7

Molecular Weight

649.92

Accurate Mass

648.18

SMILES

O=C([C@H](CN)NC([C@H](CO)NC([C@@H](N)CNC([C@@]([C@@]1([H])CCN=C(N)N1)([H])N2)=O)=O)=O)N/C(C2=O)=C\NC(N)=O.Cl.Cl.Cl

InChI

InChI=1S/C19H32N12O7.3ClH/c20-3-9-14(34)28-10(5-26-19(23)38)15(35)31-12(8-1-2-24-18(22)30-8)17(37)25-4-7(21)13(33)29-11(6-32)16(36)27-9;;;/h5,7-9,11-12,32H,1-4,6,20-21H2,(H,25,37)(H,27,36)(H,28,34)(H,29,33)(H,31,35)(H3,22,24,30)(H3,23,26,38);3*1H/b10-5-;;;/t7-,8+,9-,11-,12-;;;/m0.../s1

IUPAC

1-((Z)-((3S,9S,12S,15S)-15-amino-3-((R)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl)-9-(aminomethyl)-12-(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-6-ylidene)methyl)urea trihydrochloride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat