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

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H41N5O5
Molecular Weight 575.6984
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-ERGOCRYPTINE

SMILES

[H][C@@]12CCCN1C(=O)[C@]([H])([C@@H](C)CC)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=YYWXOXLDOMRDHW-SDMXVIBFSA-N
InChI=1S/C32H41N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33,41H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18-,20+,24+,25-,27-,31+,32-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
.BETA.-ERGOCRYPTINE
MI  
Common Name English
.BETA.-ERGOCRYPTINE [MI]
Common Name English
.BETA.-ERGOKRYPTINE
Common Name English
ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-(1-METHYLETHYL)-5'-(1-METHYLPROPYL)-, (5'.ALPHA.(S))-
Common Name English
ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-(1-METHYLETHYL)-5'-((1S)-1-METHYLPROPYL)-, (5'.ALPHA.)-
Common Name English
Code System Code Type Description
WIKIPEDIA
beta-Ergocryptine
Created by admin on Fri Dec 15 19:50:30 GMT 2023 , Edited by admin on Fri Dec 15 19:50:30 GMT 2023
PRIMARY
PUBCHEM
15586930
Created by admin on Fri Dec 15 19:50:30 GMT 2023 , Edited by admin on Fri Dec 15 19:50:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
243-728-6
Created by admin on Fri Dec 15 19:50:30 GMT 2023 , Edited by admin on Fri Dec 15 19:50:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID701045602
Created by admin on Fri Dec 15 19:50:30 GMT 2023 , Edited by admin on Fri Dec 15 19:50:30 GMT 2023
PRIMARY
CAS
20315-46-2
Created by admin on Fri Dec 15 19:50:30 GMT 2023 , Edited by admin on Fri Dec 15 19:50:30 GMT 2023
PRIMARY
MERCK INDEX
m4977
Created by admin on Fri Dec 15 19:50:30 GMT 2023 , Edited by admin on Fri Dec 15 19:50:30 GMT 2023
PRIMARY Merck Index
DRUG CENTRAL
3183
Created by admin on Fri Dec 15 19:50:30 GMT 2023 , Edited by admin on Fri Dec 15 19:50:30 GMT 2023
PRIMARY
FDA UNII
6ZAY944SI4
Created by admin on Fri Dec 15 19:50:30 GMT 2023 , Edited by admin on Fri Dec 15 19:50:30 GMT 2023
PRIMARY