58199-96-5
8-DESACETYL-8-CARBOXY DAUNORUBICIN HYDROCHLORIDE
Name8-DESACETYL-8-CARBOXY DAUNORUBICIN HYDROCHLORIDE
FormulaC26 H27 N O11 . Cl H
1Identification
【Name】
8-DESACETYL-8-CARBOXY DAUNORUBICIN HYDROCHLORIDE
【CAS】
【MDL】
MFCD09840341
【English Synonyms】
(2S-CIS)-4-[(3-AMINO-2,3,6-TRIDEOXY-ALPHA-LYXO-HEXOPYRANOSYL)OXY]-1,2,3,4,6,11-HEXAHYDRO-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-2-NAPHTHACENE CARBOXYLIC ACID HYDROCHLORIDE
【Formula】
C26 H27 N O11 . Cl H
【MolWeight】
565.956
【Inchi】
InChI=1S/C26H27NO11.ClH/c1-9-20(28)12(27)6-15(37-9)38-14-8-26(35,25(33)34)7-11-17(14)24(32)19-18(22(11)30)21(29)10-4-3-5-13(36-2)16(10)23(19)31;/h3-5,9,12,14-15,20,28,30,32,35H,6-8,27H2,1-2H3,(H,33,34);1H/t9-,12-,14-,15-,20+,26-;/m0./s1
【InChIKey】
InChIKey=HUXYGCZFLAONTF-BBIPQCLFSA-N
【SMILES】
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)O)O)N)O.Cl
【MOL File】
8-DESACETYL-8-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:12
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-DESACETYL-8-CARBOXY DAUNORUBICIN HYDROCHLORIDE.cml