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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23N3O2.ClHO4
Molecular Weight 425.863
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERGOMETRININE PERCHLORATE

SMILES

OCl(=O)(=O)=O.[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)C(=O)N[C@@H](C)CO

InChI

InChIKey=PNFCOPVHYVWFTB-FBMXAZDFSA-N
InChI=1S/C19H23N3O2.ClHO4/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13;2-1(3,4)5/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24);(H,2,3,4,5)/t11-,13-,17+;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClHO4
Molecular Weight 100.459
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H23N3O2
Molecular Weight 325.4048
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:33:23 GMT 2023
Edited
by admin
on Sat Dec 16 08:33:23 GMT 2023
Record UNII
K9PPX6O2WW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERGOMETRININE PERCHLORATE
MI  
Common Name English
ERGOBASINE PERCHLORATE
Common Name English
ERGOLINE-8-CARBOXAMIDE, 9,10-DIDEHYDRO-N-(2-HYDROXY-1-METHYLETHYL)-6-METHYL-, (8.ALPHA.(S))-, MONOPERCHLORATE (SALT)
Common Name English
ERGOMETRININE PERCHLORATE [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m4981
Created by admin on Sat Dec 16 08:33:23 GMT 2023 , Edited by admin on Sat Dec 16 08:33:23 GMT 2023
PRIMARY Merck Index
CAS
6034-12-4
Created by admin on Sat Dec 16 08:33:23 GMT 2023 , Edited by admin on Sat Dec 16 08:33:23 GMT 2023
PRIMARY
FDA UNII
K9PPX6O2WW
Created by admin on Sat Dec 16 08:33:23 GMT 2023 , Edited by admin on Sat Dec 16 08:33:23 GMT 2023
PRIMARY
PUBCHEM
76963833
Created by admin on Sat Dec 16 08:33:23 GMT 2023 , Edited by admin on Sat Dec 16 08:33:23 GMT 2023
PRIMARY