ERGONOVINE MALEATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: YMH3D0ZJWV

Structure
InChI Key YREISLCRUMOYAY-IIPCNOPRSA-N
Smile C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C19H23N3O2.C4H4O4/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;5-3(6)1-2-4(7)8/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24);1-2H,(H,5,6)(H,7,8)/b;2-1-/t11-,13+,17+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H27N3O6
Molecular Weight 441.48
AlogP 1.53
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 68.36
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 69

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Postpartum Hemorrhage 3 D006473 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31554
ChEMBL CHEMBL1213135
FDA SRS YMH3D0ZJWV
PubChem 6437065
SureChEMBL SCHEMBL317356
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