U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C40H44N4O
Molecular Weight 596.8036
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 2
Charge 2

SHOW SMILES / InChI
Structure of C-CURARINE I

SMILES

C\C=C1\C[N@+]2(C)CC[C@]34[C@@H]2C[C@@H]1C5=CN6C7=CC=CC=C7[C@]89CC[N@@+]%10(C)C\C(=C\C)[C@H](C[C@@H]8%10)C%11=CN(C%12=CC=CC=C3%12)[C@]45O[C@@]69%11

InChI

InChIKey=DWELRYDMYVJVSL-TUHIATKQSA-N
InChI=1S/C40H44N4O/c1-5-25-23-43(3)17-15-37-29-11-7-10-14-34(29)42-22-32-28-20-36-38(16-18-44(36,4)24-26(28)6-2)30-12-8-9-13-33(30)41-21-31(27(25)19-35(37)43)39(37,42)45-40(32,38)41/h5-14,21-22,27-28,35-36H,15-20,23-24H2,1-4H3/q+2/b25-5-,26-6-/t27-,28-,35-,36-,37+,38+,39+,40+,43-,44-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
C-CURARINE I
MI  
Common Name English
10H,21H-19A,20B-EPOXY-1,21:10,12-DIETHANO-19AH,20BH-DIPYRROLO(3,2-F:3',2'-F')(1,5)DIAZOCINO(3,2,1-JK:7,6,5-J'K')DICARBAZOLIUM, 23,27-DIETHYLIDENE-2,3,11,11A,13,14,22,22A-OCTAHYDRO-1,12-DIMETHYL-, (1S,3AR,10S,11AS,12S,14AR,19AR,20BR,21S,22AS,23E,27E)-
Preferred Name English
C-CURARINE
Common Name English
TOXIFERINE I, 18,18'-DIDEOXY-2,2'-EPOXY-
Common Name English
C-CURARINE I [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m3932
Created by admin on Mon Mar 31 22:37:15 GMT 2025 , Edited by admin on Mon Mar 31 22:37:15 GMT 2025
PRIMARY Merck Index
PUBCHEM
5281386
Created by admin on Mon Mar 31 22:37:15 GMT 2025 , Edited by admin on Mon Mar 31 22:37:15 GMT 2025
PRIMARY
FDA UNII
H84W1ZC95F
Created by admin on Mon Mar 31 22:37:15 GMT 2025 , Edited by admin on Mon Mar 31 22:37:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID901046349
Created by admin on Mon Mar 31 22:37:15 GMT 2025 , Edited by admin on Mon Mar 31 22:37:15 GMT 2025
PRIMARY
ECHA (EC/EINECS)
230-517-7
Created by admin on Mon Mar 31 22:37:15 GMT 2025 , Edited by admin on Mon Mar 31 22:37:15 GMT 2025
PRIMARY
CAS
7168-64-1
Created by admin on Mon Mar 31 22:37:15 GMT 2025 , Edited by admin on Mon Mar 31 22:37:15 GMT 2025
PRIMARY