Metocurine

CAS Registry Number®

5152-30-7

CAS Name

Metocurine

Molecular Formula

C40H48N2O6

Cite this Page

Metocurine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5152-30-7 (retrieved 2024-11-22) (CAS RN: 5152-30-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1

InChIKey

InChIKey=JFXBEKISTKFVAB-AJQTZOPKSA-N

SMILES

O(C)C1=C2C=3[C@@](CC=4C=C(OC=5C=C6[C@](CC=7C=CC(O2)=CC7)([N+](C)(C)CCC6=CC5OC)[H])C(OC)=CC4)([N+](C)(C)CCC3C=C1OC)[H]

Canonical SMILES

O1C2=CC(=CC=C2OC)CC3C4=C(OC5=CC=C(C=C5)CC6C7=CC1=C(OC)C=C7CC[N+]6(C)C)C(OC)=C(OC)C=C4CC[N+]3(C)C

Other Names for this Substance

  • 13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido[3′,2′:14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolinium, 2,3,13a,14,15,16,25,25a-octahydro-9,18,19,29-tetramethoxy-1,1,14,14-tetramethyl-, (13aR,25aS)-
  • Chondrocurarine, O,O′-dimethyl-
  • Tubocuraranium, 6,6′,7′,12′-tetramethoxy-2,2,2′,2′-tetramethyl-
  • (13aR,25aS)-2,3,13a,14,15,16,25,25a-Octahydro-9,18,19,29-tetramethoxy-1,1,14,14-tetramethyl-13H-4,6:21,24-dietheno-8,12-metheno-1H-pyrido[3′,2′:14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolinium
  • Dimethylchondrocurarine

View All

Deleted or Replaced CAS Registry Numbers

1397-58-6, 17573-08-9, 23192-76-9, 29605-20-7, 34168-57-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration