Rifamycin B dimethylethylhydrazide

HCID 6444779

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Basic information

CAS: 17607-48-6
Standard SMILES: CCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(O/C=C/C(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)/C=C/C=C(\C)C(=O)N2)O4)N(C)C
InChIKey: JJFRSXARWAFDCT-ZDOWLDHSSA-N
Molecular formula: C43H59N3O13
Average molar mass: 825.9 g/mol
Monoisotopic mass: 825.40478895

Names & identifiers

Preferred name: Rifamycin B dimethylethylhydrazide
IUPAC: [(9E,19E,21E)-27-[2-[dimethylamino(ethyl)amino]-2-oxoethoxy]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

Names & synonyms

Rifamycin B dimethylethylhydrazideBRN 541854917607-48-6Acetic acid, ((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)-,1-ethyl-2,2-dimethylhydrazide, 21-acetate

Database identifiers

CAS: 17607-48-6
PubChem CID: 6444779

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 214 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 14
Rotatable bonds: 8
Heavy atoms: 59
Formal charge: 0
Complexity: 1,590

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