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

Details

Stereochemistry ABSOLUTE
Molecular Formula C43H52N4O5
Molecular Weight 704.8968
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CONODURINE

SMILES

[H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](C[C@]([H])([C@@H]1C(=O)OC)\C(CN2C)=C/C)C5=C6NC7=C(CCN8C[C@@H]9C[C@H](CC)[C@@]8([H])[C@]7(C9)C(=O)OC)C6=CC=C5OC

InChI

InChIKey=QJHYXWBJZHUJGS-ANEMJXHUSA-N
InChI=1S/C43H52N4O5/c1-7-24-17-23-20-43(42(49)52-6)39-28(15-16-47(21-23)40(24)43)27-13-14-34(50-4)36(38(27)45-39)31-18-29-25(8-2)22-46(3)33(35(29)41(48)51-5)19-30-26-11-9-10-12-32(26)44-37(30)31/h8-14,23-24,29,31,33,35,40,44-45H,7,15-22H2,1-6H3/b25-8-/t23-,24+,29+,31-,33+,35+,40+,43-/m1/s1

HIDE SMILES / InChI

Molecular Formula C43H52N4O5
Molecular Weight 704.8968
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:37:19 GMT 2023
Edited
by admin
on Sat Dec 16 18:37:19 GMT 2023
Record UNII
GEA6LKA5NH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CONODURINE
Common Name English
NSC-289066
Code English
IBOGAMINE-18-CARBOXYLIC ACID, 13-METHOXY-14-((3.ALPHA.)-17-METHOXY-17-OXOVOBASAN-3-YL)-, METHYL ESTER
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50420416
Created by admin on Sat Dec 16 18:37:20 GMT 2023 , Edited by admin on Sat Dec 16 18:37:20 GMT 2023
PRIMARY
NSC
289066
Created by admin on Sat Dec 16 18:37:20 GMT 2023 , Edited by admin on Sat Dec 16 18:37:20 GMT 2023
PRIMARY
CAS
2665-57-8
Created by admin on Sat Dec 16 18:37:20 GMT 2023 , Edited by admin on Sat Dec 16 18:37:20 GMT 2023
PRIMARY
FDA UNII
GEA6LKA5NH
Created by admin on Sat Dec 16 18:37:20 GMT 2023 , Edited by admin on Sat Dec 16 18:37:20 GMT 2023
PRIMARY
PUBCHEM
156028040
Created by admin on Sat Dec 16 18:37:20 GMT 2023 , Edited by admin on Sat Dec 16 18:37:20 GMT 2023
PRIMARY
WIKIPEDIA
Conodurine
Created by admin on Sat Dec 16 18:37:20 GMT 2023 , Edited by admin on Sat Dec 16 18:37:20 GMT 2023
PRIMARY