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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.[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N[C@@H](C)CO.[H][C@@]56CC7=CNC8=CC=CC(=C78)C5=C[C@H](CN6C)C(=O)N[C@@H](C)CO

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 Fri Dec 15 19:38:33 GMT 2023
Edited
by admin
on Fri Dec 15 19:38:33 GMT 2023
Record UNII
54E5P4SD4U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERGONOVINE TARTRATE
Common Name English
Ergometrine tartrate [WHO-DD]
Common Name English
ERGOBASINE TARTRATE
Common Name English
ERGOMETRINE TARTRATE
WHO-DD  
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 Fri Dec 15 19:38:34 GMT 2023 , Edited by admin on Fri Dec 15 19:38:34 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
204-951-4
Created by admin on Fri Dec 15 19:38:34 GMT 2023 , Edited by admin on Fri Dec 15 19:38:34 GMT 2023
PRIMARY
CAS
129-50-0
Created by admin on Fri Dec 15 19:38:34 GMT 2023 , Edited by admin on Fri Dec 15 19:38:34 GMT 2023
PRIMARY
FDA UNII
54E5P4SD4U
Created by admin on Fri Dec 15 19:38:34 GMT 2023 , Edited by admin on Fri Dec 15 19:38:34 GMT 2023
PRIMARY
PUBCHEM
76957949
Created by admin on Fri Dec 15 19:38:34 GMT 2023 , Edited by admin on Fri Dec 15 19:38:34 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE