Mrv2304 07182320452D          

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M  END
> <DATABASE_ID>
DBSALT003284

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.[H][C@@]1(C[C@H](N)[C@H](O)[C@H](C)O1)O[C@H]1C[C@](O)(CCO)CC2=C(O)C3=C(C(O)=C12)C(=N)C1=C(OC)C=CC=C1C3=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H32N2O9.ClH/c1-11-23(31)14(28)8-17(37-11)38-16-10-27(35,6-7-30)9-13-19(16)26(34)20-21(25(13)33)24(32)12-4-3-5-15(36-2)18(12)22(20)29;/h3-5,11,14,16-17,23,29-31,33-35H,6-10,28H2,1-2H3;1H/t11-,14-,16-,17-,23+,27-;/m0./s1

> <INCHI_KEY>
QVPRMGHPBJJSRU-IGAJXZAQSA-N

> <FORMULA>
C27H33ClN2O9

> <MOLECULAR_WEIGHT>
565.02

> <EXACT_MASS>
564.1874584

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
2.0045823564173646

> <JCHEM_AVERAGE_POLARIZABILITY>
54.49472695877445

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(8R,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyethyl)-12-imino-1-methoxy-5,7,8,9,10,12-hexahydrotetracen-5-one hydrochloride

> <JCHEM_LOGP>
1.2600882102893696

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.621141577436724

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.287989203190596

> <JCHEM_PKA_STRONGEST_BASIC>
9.464800862682841

> <JCHEM_POLAR_SURFACE_AREA>
195.78

> <JCHEM_REFRACTIVITY>
146.7353

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(8R,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one hydrochloride

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT003284

> <NAME>
Camsirubicin hydrochloride

> <DRUG_DRUGBANK_ID>
DB13103

> <DRUG_NAME>
Camsirubicin

> <CAS_NUMBER>
236095-24-2

> <UNII>
QFO4NOX87K

$$$$