CAPREOMYCIN, SULFATE (SALT)

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Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII 9H8D3J7V21
EPA CompTox DTXSID90930862

Structure

InChI Key LFFNIXQXRKNZCE-XYHGUWSSSA-N
Smiles C1CN=C(NC1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=CNC(=O)N)/C(=O)N2)CNC(=O)[C@H](CCCN)N)CO)N)N.OS(=O)(=O)O
InChI
InChI=1S/C24H42N14O8/c25-4-1-2-10(26)17(40)32-7-13-19(42)34-14(8-33-24(29)46)20(43)38-16(12-3-5-30-23(28)37-12)22(45)31-6-11(27)18(41)36-15(9-39)21(44)35-13/h8,10-13,15-16,39H,1-7,9,25-27H2,(H,31,45)(H,32,40)(H,34,42)(H,35,44)(H,36,41)(H,38,43)(H3,28,30,37)(H3,29,33,46)/b14-8-/t10-,11-,12+,13+,15-,16+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H42N14O8
Molecular Weight 654.33
AlogP -2.96
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 16.0
Number of Rotational Bond 9.0
Polar Surface Area 397.85
Heavy Atoms 46.0

Cross References

Resources Reference
CAS NUMBER 1405-37-4
NORMAN SUSDAT
FDA SRS 9H8D3J7V21
PubChem 22836615
ChemSpider 8434.0
CONTENTS