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

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H37N5O5
Molecular Weight 595.6881
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERGOSTINE

SMILES

[H][C@@]12CCCN1C(=O)[C@H](CC3=CC=CC=C3)N4C(=O)[C@](CC)(NC(=O)[C@H]5CN(C)[C@]6([H])CC7=CNC8=CC=CC(=C78)C6=C5)O[C@@]24O

InChI

InChIKey=BOLCFGMGGWCOOE-CTTKVJGISA-N
InChI=1S/C34H37N5O5/c1-3-33(36-30(40)22-16-24-23-11-7-12-25-29(23)21(18-35-25)17-26(24)37(2)19-22)32(42)39-27(15-20-9-5-4-6-10-20)31(41)38-14-8-13-28(38)34(39,43)44-33/h4-7,9-12,16,18,22,26-28,35,43H,3,8,13-15,17,19H2,1-2H3,(H,36,40)/t22-,26-,27+,28+,33-,34+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ERGOSTINE
Common Name English
ERGOTAMAN-3',6',18-TRIONE, 2'-ETHYL-12'-HYDROXY-5'-(PHENYLMETHYL)-, (5'.ALPHA.)-
Common Name English
(6AR,9R)-N-((2R,5S,10AS,10BS)-5-BENZYL-2-ETHYL-10B-HYDROXY-3,6-DIOXOOCTAHYDRO-8H-(1,3)OXAZOLO(3,2-A)PYRROLO(2,1-C)PYRAZIN-2-YL)-7-METHYL-4,6,6A,7,8,9-HEXAHYDROINDOLO(4,3-FG)QUINOLINE-9-CARBOXAMIDE
Systematic Name English
ERGOTAMINE TARTRATE IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
12308959
Created by admin on Fri Dec 15 19:45:39 GMT 2023 , Edited by admin on Fri Dec 15 19:45:39 GMT 2023
PRIMARY
WIKIPEDIA
Ergostine
Created by admin on Fri Dec 15 19:45:39 GMT 2023 , Edited by admin on Fri Dec 15 19:45:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID10951231
Created by admin on Fri Dec 15 19:45:39 GMT 2023 , Edited by admin on Fri Dec 15 19:45:39 GMT 2023
PRIMARY
CAS
2854-38-8
Created by admin on Fri Dec 15 19:45:39 GMT 2023 , Edited by admin on Fri Dec 15 19:45:39 GMT 2023
PRIMARY
FDA UNII
8RM45QOC5P
Created by admin on Fri Dec 15 19:45:39 GMT 2023 , Edited by admin on Fri Dec 15 19:45:39 GMT 2023
PRIMARY
MESH
C030479
Created by admin on Fri Dec 15 19:45:39 GMT 2023 , Edited by admin on Fri Dec 15 19:45:39 GMT 2023
PRIMARY