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Substance Name: Rifamycin,3-((2-(3-carboxy-1-oxopropoxy)ethyl)thio)-1,4-dideoxy-1,4-dihydro-21,23-O-(1-methylethylidene)-1,4-dioxo-, 5'-ester with 3'-azido-3'-deoxythymidine
RN: 191153-01-2
InChIKey: ISXHRLKOEGMRQM-PZJHEDJQSA-N

Molecular Formula

  • C56-H68-N6-O19-S

Molecular Weight

  • 1161.2422
 
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Names and Synonyms

  • Rifamycin,3-((2-(3-carboxy-1-oxopropoxy)ethyl)thio)-1,4-dideoxy-1,4-dihydro-21,23-O-(1-methylethylidene)-1,4-dioxo-, 5'-ester with 3'-azido-3'-deoxythymidine

Registry Numbers

CAS Registry Number

  • 191153-01-2

System Generated Number

  • 0191153012

Structure Descriptors

InChI

1S/C56H68N6O19S/c1-25-14-13-15-26(2)52(70)58-42-44(67)40-39(45(68)50(42)82-21-20-74-37(64)16-17-38(65)75-24-35-33(60-61-57)22-36(78-35)62-23-27(3)53(71)59-54(62)72)41-49(29(5)43(40)66)81-56(11,51(41)69)76-19-18-34(73-12)28(4)47(77-32(8)63)31(7)48-30(6)46(25)79-55(9,10)80-48/h13-15,18-19,23,25,28,30-31,33-36,46-48,66H,16-17,20-22,24H2,1-12H3,(H,58,70)(H,59,71,72)/b14-13+,19-18+,26-15-/t25-,28+,30+,31-,33-,34-,35+,36+,46-,47+,48+,56-/m0/s1

InChIKey

ISXHRLKOEGMRQM-PZJHEDJQSA-N

Smiles

Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CCC(=O)OCCSC3=C4C(=O)c5c(c6c(c(c5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@H]7[C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N4)/C)C)OC(O7)(C)C)C)C)OC(=O)C)C)OC)C)C3=O)N=[N+]=[N-]