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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C19H23N3O2.C4H6O6
Molecular Weight 800.8965
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERGONOVINE TARTRATE

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.C[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2CC3=CNC4=C3C(=CC=C4)C2=C1.C[C@@H](CO)NC(=O)[C@H]5CN(C)[C@@H]6CC7=CNC8=C7C(=CC=C8)C6=C5

InChI

InChIKey=LCWZQWWOZZUXTM-TVOBTDOISA-N
InChI=1S/2C19H23N3O2.C4H6O6/c2*1-11(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;5-1(3(7)8)2(6)4(9)10/h2*3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24);1-2,5-6H,(H,7,8)(H,9,10)/t2*11-,13+,17+;1-,2-/m001/s1

HIDE SMILES / InChI

Molecular Formula C4H6O6
Molecular Weight 150.0868
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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 Mon Mar 31 19:51:52 GMT 2025
Edited
by admin
on Mon Mar 31 19:51:52 GMT 2025
Record UNII
54E5P4SD4U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERGONOVINE TARTRATE
Common Name English
ERGOMETRINE TARTRATE
WHO-DD  
Preferred Name English
Ergometrine tartrate [WHO-DD]
Common Name English
ERGOBASINE TARTRATE
Common Name English
ERGOLINE-8-CARBOXAMIDE, 9,10-DIDEHYDRO-N-((1S)-2-HYDROXY-1-METHYLETHYL)-6-METHYL-, (8.BETA.)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (2:1) (SALT)
Systematic Name English
Classification Tree Code System Code
DEA NO. 8675
Created by admin on Mon Mar 31 19:51:52 GMT 2025 , Edited by admin on Mon Mar 31 19:51:52 GMT 2025
Code System Code Type Description
ECHA (EC/EINECS)
204-951-4
Created by admin on Mon Mar 31 19:51:52 GMT 2025 , Edited by admin on Mon Mar 31 19:51:52 GMT 2025
PRIMARY
CAS
129-50-0
Created by admin on Mon Mar 31 19:51:52 GMT 2025 , Edited by admin on Mon Mar 31 19:51:52 GMT 2025
PRIMARY
FDA UNII
54E5P4SD4U
Created by admin on Mon Mar 31 19:51:52 GMT 2025 , Edited by admin on Mon Mar 31 19:51:52 GMT 2025
PRIMARY
PUBCHEM
76957949
Created by admin on Mon Mar 31 19:51:52 GMT 2025 , Edited by admin on Mon Mar 31 19:51:52 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE