Rifapentine

CAS Registry Number®

61379-65-5
No image available.

CAS Name

Rifapentine

Molecular Formula

C47H64N4O12

Molecular Mass

877.03

Cite this Page

Rifapentine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61379-65-5 (retrieved 2024-07-16) (CAS RN: 61379-65-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    179-180 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12-,22-17-,25-14+,48-23?/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1

InChIKey

InChIKey=WDZCUPBHRAEYDL-ZUNIVQLFSA-N

SMILES

OC1=C2C3=C4O[C@@](C)(C3=O)O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)\C(=O)NC(C(O)=C2C(O)=C4C)=C1C=NN5CCN(CC5)C6CCCC6

Canonical SMILES

O=C(OC1C(C)C(OC)C=COC2(OC3=C(C2=O)C4=C(O)C(C=NN5CCN(CC5)C6CCCC6)=C(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C1C)C)C(O)=C4C(O)=C3C)C)C

Other Names for this Substance

  • Rifamycin, 3-[[(4-cyclopentyl-1-piperazinyl)imino]methyl]-
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.
  • 3-[[(4-Cyclopentyl-1-piperazinyl)imino]methyl]rifamycin
  • Rifamycin AF/ACPP
  • DL 473

Deleted or Replaced CAS Registry Numbers

71950-35-1, 773848-08-1