UCSF

ZINC53174604

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 24 Yes

Popular Name: Ergonovine maleate Ergonovine maleate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 129-51-1 , 129-51-1, 60-79-7 [ergono , 129-51-1, 60-79-7 [ergonovine] , 60-79-7

Other Names:

erg-

erg-; -vin-

vin-

11002-48-5

129-51-1; D01163; Ergometrine (TN); Ergometrine maleate (JP16); Ergonovine maleate (USP)

60-79-7

60-79-7; C07543; Ergometrine; Ergonovine

60-79-7; D07905; Ergometrine (INN)

78207-83-7

9,10-Didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methylergoline-8beta-carboxamide maleate (1:1) (salt); C19H23N3O2; Cornocentin; Crude ergot; D-Ergonovine maleate; EINECS 204-953-5; Ergoline-8-beta-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethy

9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methylergoline-8beta-carboxamide maleate (1:1); ergometrin acid maleate; ergometrine hydrogen maleate; ergometrine maleate (1:1); ergonovine hydrogen maleate; ergonovine maleate; ergonovine, maleate (1:1)

9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8beta(S)-carboxamide

9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8beta(S)-carboxamide; 9,10-didehydro-N-(alpha-(hydroxymethyl)ethyl)-6-methylergoline-8-beta-carboxamide; D-lysergic acid 1-hydroxymethylethylamide; D-lysergic acid-L-propanolamide; Ergometrine; E

9,10-Didehydro-N-(alpha-(hydroxymethyl)ethyl)-6-methylergoline-8-beta-carboxamide

AC1L9FE0

BAN); Ergometrine Maleate (JAN); Ergonovine Maleate (USP)

Basergin

BRD-A90550479-050-02-7

C07543

C19H23N3O2

CHEBI:296351

CHEBI:4822

CHEMBL119443

CID443884

D-Lysergic acid 1-hydroxymethylethylamide

D-Lysergic acid-L-propanolamide

D07905

DAP000227

DB01253

EINECS 200-485-0

Ergobasin

Ergobasine

Ergobasine;Ergometrine;Ergotrate maleate

Ergoklinine

Ergoline-8-beta-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl-

Ergoline-8-carboxamide, 9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-, (8beta(S))-

Ergometrin

Ergometrina

Ergometrina [INN-Spanish]

ergometrina; ergometrine; ergometrinum

Ergometrine

Ergometrine (BAN

Ergometrine (INN

Ergometrine (INN)

ergometrine maleate

Ergometrine [INN:BAN]

Ergometrinum

Ergometrinum [INN-Latin]

Ergonovine

Ergostetrine

Ergotocine

Ergotrate

Ergotrate maleate

HSDB 4075

INN); Ergometrine Maleate (JAN); Ergonovine Maleate (USP)

L-Lysergic-L(beta-hydroxyisopropylamide)

LS-64359

Lysergamide, N-((S)-2-hydroxy-1-methylethyl)-

Lysergic acid propanolamide

Margonovine

MolPort-004-955-259

N-(1-(Hydroxymethyl)ethyl)-D-lysergamide

N-(2-Hydroxy-1-methylethyl)-D(+)-lysergamide

N-(alpha-(Hydroxymethyl)ethyl)-D-lysergamide

N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-9,10-didehydroergoline-8beta-carboxamide

Neofemergen

Secacornin

Secometrin

SMP1_000118

ST057158

UNII-WH41D8433D

[8beta(S)]-9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8-carboxamide

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.21e-01 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0037740A2; EP0253901A1; EP0253901B1; EP0284421A2; EP0386960A2; EP0391896B1; EP0454773A1; EP0463653A1; EP0463653B1; EP0481600A2; EP0481600A3; EP0487562A1; EP0487562B1; EP0493380A1; EP0493380B1; EP0532546B1; EP0596125A1; EP0596984A1; EP0596984B1; EP066500 IBM Patent Data
Therapy oxytocic, 5HT antagonist SMDC MicroSource

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.