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Substance Name: Bromoacetyltiamulin
RN: 76298-40-3
InChIKey: BFVZMKJRPHKXGG-YDTJOWTPSA-N

Note

  • Alkylating derivative of antibiotic pleuromutilin & tiamulin which is also an affinity label.

Molecular Weight

  • 558.574
 
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Names and Synonyms

Name of Substance

  • Bromoacetyltiamulin

Systematic Name

  • Acetic acid, ((2-((bromoacetyl)amino)ethyl)thio)-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester, (3aS-(3aalpha,4beta,5alpha,6alpha,8beta,9beta,9abeta,10S*))-

Registry Numbers

CAS Registry Number

  • 76298-40-3

System Generated Number

  • 0076298403

Structure Descriptors

InChI

1S/C26H40BrNO5S/c1-6-24(4)13-19(33-21(31)15-34-12-11-28-20(30)14-27)25(5)9-7-16(2)26(17(3)23(24)32)10-8-18(29)22(25)26/h6,16-17,19,22-23,32H,1,7-15H2,2-5H3,(H,28,30)/t16-,17?,19?,22?,23?,24?,25?,26?/m1/s1

InChIKey

BFVZMKJRPHKXGG-YDTJOWTPSA-N

Smiles

C(CSCCNC(=O)CBr)(=O)O[C@@H]1[C@@]2([C@@H]3[C@@]([C@@H]([C@@H]([C@@](C1)(C)C=C)O)C)(CCC3=O)[C@@H](CC2)C)C