ERGOTAMINE TARTRATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1948)
Entry Type: Small molecule
Molecule Category: Salt
UNII: MRU5XH3B48
Parent Compound: ERGOTAMINE

Structure
InChI Key CJMJLDQKTOJACI-SEUSHGJOSA-N
Smile CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21.CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/2C33H35N5O5.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,25-,26+,27+,32-,33+;/m11./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C70H76N10O16
Molecular Weight 1313.43
AlogP 1.99
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 118.21
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 43.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Adrenergic receptor alpha agonist ISBN PubMed DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
29.91
General disorders and administration site conditions
28.04
Vascular disorders
12.15
Cardiac disorders
7.48
Investigations
4.67
Blood and lymphatic system disorders
2.8
Gastrointestinal disorders
2.8

Cross References

Resources Reference
ChEMBL CHEMBL2448612
FDA SRS MRU5XH3B48
PubChem 9787
SureChEMBL SCHEMBL12481537
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