Lurbinectedin

CAS Registry Number®

497871-47-3

CAS Name

Lurbinectedin

Molecular Formula

C41H44N4O10S

Molecular Mass

784.87

Cite this Page

Lurbinectedin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=497871-47-3 (retrieved 2024-11-22) (CAS RN: 497871-47-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H44N4O10S/c1-17-11-20-12-25-39(48)45-26-14-52-40(49)41(38-22(9-10-42-41)23-13-21(50-5)7-8-24(23)43-38)15-56-37(31(45)30(44(25)4)27(20)32(47)33(17)51-6)29-28(26)36-35(53-16-54-36)18(2)34(29)55-19(3)46/h7-8,11,13,25-26,30-31,37,39,42-43,47-48H,9-10,12,14-16H2,1-6H3/t25-,26-,30+,31+,37+,39-,41+/m0/s1

InChIKey

InChIKey=YDDMIZRDDREKEP-HWTBNCOESA-N

SMILES

O[C@@H]1N2[C@@]([C@]3(C=4C([C@@]2(COC(=O)[C@@]5(CS3)C6=C(C=7C(N6)=CC=C(OC)C7)CCN5)[H])=C8C(=C(C)C4OC(C)=O)OCO8)[H])([C@]9(C=%10C(C[C@@]1(N9C)[H])=CC(C)=C(OC)C%10O)[H])[H]

Canonical SMILES

O=C(OC=1C(=C2OCOC2=C3C1C4SCC5(NCCC=6C=7C=C(OC)C=CC7NC65)C(=O)OCC3N8C(O)C9N(C)C(C%10=C(O)C(OC)=C(C=C%10C9)C)C84)C)C

Other Names for this Substance

  • Spiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1′-[1H]pyrido[3,4-b]indol]-19-one, 5-(acetyloxy)-2′,3′,4′,6,6a,7,9′,13,14,16-decahydro-8,14-dihydroxy-6′,9-dimethoxy-4,10,23-trimethyl-, (1′R,6R,6aR,7R,13S,14S,16R)-
  • PM 01183
  • Lurbinectedin
  • Tryptamicidin
  • Zepsyre

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration