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

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H39N5O5
Molecular Weight 561.6719
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERGOCORNININE

SMILES

[H][C@@]12CCCN1C(=O)[C@H](C(C)C)N3C(=O)[C@](NC(=O)[C@@H]4CN(C)[C@]5([H])CC6=CNC7=CC=CC(=C67)C5=C4)(O[C@@]23O)C(C)C

InChI

InChIKey=UJYGDMFEEDNVBF-KMKPOGODSA-N
InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23+,24-,26-,30+,31-/m0/s1

HIDE SMILES / InChI

Approval Year

Patents
Name Type Language
ERGOCORNININE
Common Name English
8-ISOERGOCORNINE
Common Name English
ERGOCORNINE 8.ALPHA.-EPIMER [MI]
Common Name English
ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2',5'-BIS(1-METHYLETHYL)-, (5'.ALPHA.,8.ALPHA.)-
Common Name English
8-EPIERGOCORNINE
Common Name English
Code System Code Type Description
MERCK INDEX
m4975
Created by admin on Sat Dec 16 02:01:04 GMT 2023 , Edited by admin on Sat Dec 16 02:01:04 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID10891860
Created by admin on Sat Dec 16 02:01:04 GMT 2023 , Edited by admin on Sat Dec 16 02:01:04 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-273-2
Created by admin on Sat Dec 16 02:01:04 GMT 2023 , Edited by admin on Sat Dec 16 02:01:04 GMT 2023
PRIMARY
PUBCHEM
10007994
Created by admin on Sat Dec 16 02:01:04 GMT 2023 , Edited by admin on Sat Dec 16 02:01:04 GMT 2023
PRIMARY
FDA UNII
6010ED1B7H
Created by admin on Sat Dec 16 02:01:04 GMT 2023 , Edited by admin on Sat Dec 16 02:01:04 GMT 2023
PRIMARY
CAS
564-37-4
Created by admin on Sat Dec 16 02:01:04 GMT 2023 , Edited by admin on Sat Dec 16 02:01:04 GMT 2023
PRIMARY