Theprubicin
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2R)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Molecular Identity
Theprubicin
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2R)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
PubChem CID: 20846247
2D Structure
Properties
C32H38ClNO12
Molecular Formula
664.10
Molecular Weight
g/mol
663.2083
Exact Mass
Da
204
TPSA
May have limited oral absorption
6
H-Bond Donors
13
H-Bond Acceptors
1120
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OC6CCCCO6.ClIsomeric SMILES
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O[C@@H]6CCCCO6.ClSynonyms(20)
TheprubicinRefChem:1099806Pirarubicin hydrochloride95343-20-7Pirarubicin (Hydrochloride)Pirarubicin HClE7V83174BE(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2R)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloridePinorubinPirarubicinhydrochlorideNSC-333054THP-adriamycin hydrochlorideSCHEMBL99651C32H38ClNO12UNII-E7V83174BE
Data from PubChem (NCBI)
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