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Substance Name: 3'-Hydroxy-5'-(4-methyl-perhydro-1,4-diazepin-1-yl)benzoxazinorifamycin
RN: 148235-99-8
InChIKey: AIDCSXPOLIOPQR-RMQOHOEDSA-N

Molecular Formula

  • C49-H60-N4-O13

Molecular Weight

  • 913.028
 
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Names and Synonyms

  • 3'-Hydroxy-5'-(4-methyl-perhydro-1,4-diazepin-1-yl)benzoxazinorifamycin

Registry Numbers

CAS Registry Number

  • 148235-99-8

System Generated Number

  • 0148235998

Structure Descriptors

InChI

1S/C49H60N4O13/c1-23-13-11-14-24(2)48(61)51-39-43(59)35-34(38-46(39)65-33-22-30(21-31(55)37(33)50-38)53-17-12-16-52(9)18-19-53)36-45(28(6)42(35)58)66-49(8,47(36)60)63-20-15-32(62-10)25(3)44(64-29(7)54)27(5)41(57)26(4)40(23)56/h11,13-15,20-23,25-27,32,40-41,44,55-58H,12,16-19H2,1-10H3,(H,51,61)/b13-11+,20-15+,24-14-/t23-,25+,26+,27+,32-,40-,41+,44+,49-/m0/s1

InChIKey

AIDCSXPOLIOPQR-RMQOHOEDSA-N

Smiles

Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2=O)c-5oc6cc(cc(c6nc35)O)N7CCCN(CC7)C)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O