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Clomocycline
[CAS# 1181-54-0]

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Identification
Name Clomocycline
Synonyms (2Z,4S,4As,5As,6S,12As)-7-Chloro-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-2-[Hydroxy-(Hydroxymethylamino)Methylene]-6-Methyl-4,4A,5,5A-Tetrahydrotetracene-1,3,12-Trione; (2Z,4S,4As,5As,6S,12As)-7-Chloro-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-2-[Hydroxy-(Methylolamino)Methylene]-6-Methyl-4,4A,5,5A-Tetrahydrotetracene-1,3,12-Trione; Clomocycline [Ban:Inn]
Molecular Structure CAS#: 1181-54-0, Clomocycline
Molecular Formula C23H25ClN2O9
Molecular Weight 508.91
CAS Registry Number 1181-54-0
SMILES [C@@H]34C[C@@H]2[C@](O)(C1=C(Cl)C=CC(=C1C(=C2C(=O)[C@]3(O)C(=O)\C(C(=O)[C@H]4N(C)C)=C(/O)NCO)O)O)C
InChI 1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,25,27-29,33-35H,6-7H2,1-3H3/b21-14-/t8-,9-,16-,22-,23-/m0/s1
InChIKey BXVOHUQQUBSHLD-XCTBDMBQSA-N
Properties
Desity 1.705g/cm3 (Cal.)
Boiling point 739.677°C at 760 mmHg (Cal.)
Flash point 401.142°C (Cal.)
Market Analysis Reports
List of Reports Available for Clomocycline
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