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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23N3O2.HNO3
Molecular Weight 388.4177
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERGOMETRININE MONONITRATE

SMILES

O[N+]([O-])=O.C[C@@H](CO)NC(=O)[C@@H]1CN(C)[C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1

InChI

InChIKey=BDALUHTZODIAFN-FBMXAZDFSA-N
InChI=1S/C19H23N3O2.HNO3/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/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24);(H,2,3,4)/t11-,13-,17+;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula HNO3
Molecular Weight 63.0128
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:11:56 GMT 2025
Edited
by admin
on Mon Mar 31 22:11:56 GMT 2025
Record UNII
A812881YDD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERGOMETRININE MONONITRATE
MI  
Common Name English
ERGOLINE-8-CARBOXAMIDE, 9,10-DIDEHYDRO-N-(2-HYDROXY-1-METHYLETHYL)-6-METHYL-, (8.ALPHA.(S))-, MONONITRATE (SALT)
Preferred Name English
ERGOMETRININE MONONITRATE [MI]
Common Name English
Code System Code Type Description
CAS
6055-57-8
Created by admin on Mon Mar 31 22:11:56 GMT 2025 , Edited by admin on Mon Mar 31 22:11:56 GMT 2025
PRIMARY
MERCK INDEX
m4981
Created by admin on Mon Mar 31 22:11:56 GMT 2025 , Edited by admin on Mon Mar 31 22:11:56 GMT 2025
PRIMARY Merck Index
PUBCHEM
76962580
Created by admin on Mon Mar 31 22:11:56 GMT 2025 , Edited by admin on Mon Mar 31 22:11:56 GMT 2025
PRIMARY
FDA UNII
A812881YDD
Created by admin on Mon Mar 31 22:11:56 GMT 2025 , Edited by admin on Mon Mar 31 22:11:56 GMT 2025
PRIMARY