Nogalamycin

CAS Registry Number®

1404-15-5

CAS Name

Nogalamycin

Molecular Formula

C39H49NO16

Molecular Mass

787.80

Cite this Page

Nogalamycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1404-15-5 (retrieved 2024-11-22) (CAS RN: 1404-15-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195-196 °C (decomp)

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14-,19-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1

InChIKey

InChIKey=KGTDRFCXGRULNK-JYOBTZKQSA-N

SMILES

O=C1C=2C3=C([C@@]4(C)O[C@@](O3)([C@@H](O)[C@H](N(C)C)[C@H]4O)[H])C=C(O)C2C(=O)C=5C1=CC6=C(C5O)[C@@H](O[C@H]7[C@H](OC)[C@@](OC)(C)[C@@H](OC)[C@H](C)O7)C[C@](C)(O)[C@@H]6C(OC)=O

Canonical SMILES

O=C1C=2C=C3C(=C(O)C2C(=O)C4=C(O)C=C5C(OC6OC5(C)C(O)C(N(C)C)C6O)=C14)C(OC7OC(C)C(OC)C(OC)(C)C7OC)CC(O)(C)C3C(=O)OC

Other Names for this Substance

  • 2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-14-carboxylic acid, 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R,3S,4R,5R,6R,11S,13S,14R)-
  • Nogalamycin
  • 2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-14-carboxylic acid, 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-α-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, [2R-(2α,3β,4α,5β,6α,11β,13α,14α)]-
  • NSC 70845
  • U 15167

View All

Deleted or Replaced CAS Registry Numbers

11076-70-3, 1263312-59-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration