Surugatoxin
CAS Registry Number®
40957-92-4
No image available.
CAS Name
SurugatoxinMolecular Formula
C25H26BrN5O13Molecular Mass
684.40Cite this Page
Surugatoxin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=40957-92-4 (retrieved ) (CAS RN: 40957-92-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C25H26BrN5O13/c1-23(42)21(40)31-9-17(29-22(41)30-18(9)37)27-5-24(31,43)16(25(23)7-3-2-6(26)4-8(7)28-20(25)39)19(38)44-15-13(35)11(33)10(32)12(34)14(15)36/h2-4,10-16,32-36,42-43H,5H2,1H3,(H,28,39)(H3,27,29,30,37,41)/t10-,11-,12-,13+,14-,15-,16-,23+,24+,25+/m1/s1
InChIKey
InChIKey=BYUCWVNHAZPTMA-CRUFWYLASA-N
SMILES
C(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O)(=O)[C@H]2[C@]3(C=4C(NC3=O)=CC(Br)=CC4)[C@@](C)(O)C(=O)N5[C@]2(O)CNC6=C5C(=O)NC(=O)N6
Canonical SMILES
O=C1NC(=O)C2=C(N1)NCC3(O)N2C(=O)C(O)(C)C4(C(=O)NC5=CC(Br)=CC=C54)C3C(=O)OC6C(O)C(O)C(O)C(O)C6O
Other Names for this Substance
- D-myo-Inositol, 4-[(3S,6′aR,7′S,9′R)-6-bromo-1,1′,2,2′,3′,4′,5′,6′,6′a,7′,9′,10′-dodecahydro-6′a,9′-dihydroxy-9′-methyl-1′,2,3′,10′-tetraoxospiro[3H-indole-3,8′-[8H]pyrido[1,2-f]pteridine]-7′-carboxylate]
- D-myo-Inositol, 4-(6-bromo-1,1′,2,2′,3′,4′,5′,6′,6′a,7′,9′,10′-dodecahydro-6′a,9′-dihydroxy-9′-methyl-1′,2,3′,10′-tetraoxospiro[3H-indole-3,8′-[8H]pyrido[1,2-f]pteridine]-7′-carboxylate), [6′aS-(6′aα,7′α,8′α,9′α)]-
- Spiro[3H-indole-3,8′-[8H]pyrido[1,2-f]pteridine], D-myo-inositol deriv.
- Surugatoxin
- NSC 254240
