Rifandin

CAS Registry Number®

57184-22-2

CAS Name

Rifandin

Molecular Formula

C45H63N3O12

Molecular Mass

837.99

Cite this Page

Rifandin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57184-22-2 (retrieved 2024-11-22) (CAS RN: 57184-22-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H63N3O12/c1-22(2)21-47-16-18-48(19-17-47)35-34-39(53)32-31(40(35)54)33-42(28(8)38(32)52)60-45(10,43(33)55)58-20-15-30(57-11)25(5)41(59-29(9)49)27(7)37(51)26(6)36(50)23(3)13-12-14-24(4)44(56)46-34/h12-15,20,22-23,25-27,30,36-37,41,50-54H,16-19,21H2,1-11H3,(H,46,56)

InChIKey

InChIKey=XUBKCCSAVNRWOX-UHFFFAOYSA-N

SMILES

OC1=C2C3=C4OC(C)(C3=O)OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)NC(C(O)=C2C(O)=C4C)=C1N5CCN(CC(C)C)CC5

Canonical SMILES

O=C(OC1C(C)C(OC)C=COC2(OC=3C(C2=O)=C4C(O)=C(C(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C1C)C)=C(O)C4=C(O)C3C)N5CCN(CC5)CC(C)C)C)C

Other Names for this Substance

  • Rifamycin, 3-[4-(2-methylpropyl)-1-piperazinyl]-
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.
  • 3-[4-(2-Methylpropyl)-1-piperazinyl]rifamycin
  • Rifandin
  • R 76-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration