25-Desacetylrifampicin

CAS Registry Number®

16783-99-6
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CAS Name

25-Desacetylrifampicin

Molecular Formula

C41H56N4O11

Molecular Mass

780.90

Cite this Page

25-Desacetylrifampicin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16783-99-6 (retrieved 2024-04-29) (CAS RN: 16783-99-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H56N4O11/c1-20-11-10-12-21(2)40(53)43-31-26(19-42-45-16-14-44(8)15-17-45)36(50)28-29(37(31)51)35(49)25(6)38-30(28)39(52)41(7,56-38)55-18-13-27(54-9)22(3)33(47)24(5)34(48)23(4)32(20)46/h10-13,18-20,22-24,27,32-34,46-51H,14-17H2,1-9H3,(H,43,53)/b11-10-,18-13-,21-12+,42-19+/t20-,22+,23+,24-,27-,32-,33+,34+,41-/m0/s1

InChIKey

InChIKey=KUJZTIJOBQNKDR-YNQQWNGESA-N

SMILES

OC1=C2C3=C4O[C@@](C)(C3=O)O/C=C\[C@H](OC)[C@@H](C)[C@@H](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)=C1/C=N/N5CCN(C)CC5

Canonical SMILES

O=C1NC=2C(O)=C3C(O)=C(C=4OC(OC=CC(OC)C(C)C(O)C(C)C(O)C(C)C(O)C(C=CC=C1C)C)(C(=O)C4C3=C(O)C2C=NN5CCN(C)CC5)C)C

Other Names for this Substance

  • Rifamycin, 25-O-deacetyl-3-[(E)-[(4-methyl-1-piperazinyl)imino]methyl]-
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.
  • 25-O-Deacetyl-3-[(E)-[(4-methyl-1-piperazinyl)imino]methyl]rifamycin
  • Deacetylrifampicin

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Deleted or Replaced CAS Registry Numbers

111990-20-6, 17312-33-3, 21494-93-9, 43072-06-6

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