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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23N3O2
Molecular Weight 325.4048
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERGOMETRININE

SMILES

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

InChI

InChIKey=WVVSZNPYNCNODU-PLQHRBFRSA-N
InChI=1S/C19H23N3O2/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/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H23N3O2
Molecular Weight 325.4048
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
5EXN22NGMW
Record Status Validated (UNII)
Record Version