Calcium mupirocin dihydrate

CAS Registry Number®

115074-43-6

CAS Name

Calcium mupirocin dihydrate

Molecular Formula

C26H44O9.1/2Ca.H2O

Cite this Page

Calcium mupirocin dihydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115074-43-6 (retrieved 2024-11-21) (CAS RN: 115074-43-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    132-139 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H44O9.Ca.H2O/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27;;/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);;1H2/b16-13+;;/t17-,18-,19-,20-,21-,24+,25-,26-;;/m0../s1

InChIKey

InChIKey=BLZJSZDYKXDOEQ-MJJSANMQSA-N

SMILES

C([C@H]1[C@]([C@H]([C@H](C)O)C)(O1)[H])[C@@H]2[C@@H](O)[C@@H](O)[C@H](C/C(=C/C(OCCCCCCCCC(O)=O)=O)/C)OC2.[Ca].O

Canonical SMILES

[Ca].O=C(O)CCCCCCCCOC(=O)C=C(C)CC1OCC(CC2OC2C(C)C(O)C)C(O)C1O.O

Other Names for this Substance

  • L-talo-Non-2-enonic acid, 5,9-anhydro-2,3,4,8-tetradeoxy-8-[(2S,3S)-[3-[(1S,2S)-2-hydroxy-1-methylpropyl]-2-oxiranyl]methyl]-3-methyl-, 8-carboxyoctyl ester, calcium salt, hydrate (2:1:2)
  • L-talo-Non-2-enonic acid, 5,9-anhydro-2,3,4,8-tetradeoxy-8-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-3-methyl-, 8-carboxyoctyl ester, calcium salt (2:1), dihydrate, [2E,8[2S,3S(1S,2S)]]-
  • Calcium mupirocin dihydrate
  • Mupirocin calcium hydrate
  • Mupirocin calcium dihydrate

Deleted or Replaced CAS Registry Numbers

573951-40-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration