Camsirubicin
(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
Molecular Identity
Camsirubicin
(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
PubChem CID: 135446069
2D Structure
Properties
C27H32N2O9
Molecular Formula
528.50
Molecular Weight
g/mol
528.2108
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
196
TPSA
May have limited oral absorption
7
H-Bond Donors
11
H-Bond Acceptors
906
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=N)C(=CC=C5)OC)O)(CCO)O)N)OIsomeric 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=N)C(=CC=C5)OC)O)(CCO)O)N)OSynonyms(20)
Camsirubicin236095-26-4VI79RD8VNNGPX-1505-IMINO-13-DEOXYDOXORUBICINGPX1505(8H)-Naphthacenone, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyethyl)-12-imino-1-methoxy-, (8R,10S)-camsirubicinacamsirubicinecamsirubicinumRefChem:1231695-Imino-13-deoxydoxoubicin(8S,10S)-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-12-imino-1-methoxy-5,7,8,9,10,12-hexahydrotetracen-5-oneUNII-VI79RD8VNN(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
Data from PubChem (NCBI)
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Drug Network
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