UCSF

ZINC53230301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2010 33 No

CAS Numbers: 81409-90-7 , [81409-90-7]

Other Names:

(8beta)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6-(prop-2-en-1-yl)ergoline-8-carboxamide

(8beta)-N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-(2-propenyl)-ergoline-8-carboxamide

(8beta)-N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-prop-2-en-1-ylergoline-8-carboxamide

(8R)-6-allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide

(8R)-6-allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide; (8beta)-N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-(2-propenyl)-ergoline-8-carboxamide; 1-((6-allylergolin-8beta-yl)carbonyl)-1-(3-(dimethylamino)propyl)-3-ethy

erg-

1-((6-Allylergolin-8beta-yl)carbonyl)-1-(3-(dimethylamino)propyl)-3-ethylurea

1-ethyl-2-(3'-dimethylaminopropyl)-3-(6'-allylergoline-8'-beta-carbonyl)urea diphosphate

1-ethyl-3-(3'-dimethylamionpropyl)-2-(6'-allylergoline-8'beta-carbonyl)urea

1-[(6-allylergoline-8beta-yl)carbonyl]-1-[3-(dimethylamino)propyl]-3-ethylurea

81409-90-7

81409-90-7; C08187; Cabergoline

81409-90-7; Cabaser (TN); Cabergoline (JAN/USAN/INN); D00987; Dostinex (TN)

85329-89-1 (diphosphate)

AC-14150

AC1L1HO0

AC1Q5OQ0

BAN

BIDD:GT0775

BRD-K86882815-001-01-6

BRN 6020775

C08187

C26H37N5O2

Cabaser

Cabaser (TN)

Cabaseril

Cabergolina

Cabergolina [Spanish]

Cabergolina [Spanish];Cabergolinum [Latin]

cabergolina; cabergoline; cabergolinum

Cabergoline (BAN

Cabergoline (FDA

Cabergoline (JAN/USAN/INN)

Cabergoline diphosphate; Centralvet; Ergoline-8-carboxamide, N-(3-(dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-(2-propenyl)-(8-beta)-, phosphate (1:2); FCE 21336; LS-64371; Vetem

Cabergoline [USAN:BAN:INN]

Cabergolinum

Cabergolinum [Latin]

CG-101

CHEBI:3286

CHEMBL1201087

CID54746

D00987

DAP000251

DB00248

Dostinex

Dostinex (TN)

Ergoline-8-carboxamide, N-(3-(dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-(2-propenyl)-, (8-beta)-

Ergoline-8beta-carboxamide, N-(3-(dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-(2-propenyl)-

FCE-21336

FDA

FT-0081285

Galastop

HMS2090A09

INN

LS-64370

MFCD00867887

MolPort-003-845-557

Sogilen

UNII-LL60K9J05T

USAN)

Download: MOL2 SDF SMILES Flexibase

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
Ref Reference (pH 7) 3.44 9.42 -50.98 3 7 1 73 452.623 8

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.40e-02 g/l DrugBank-approved

Activity (Go SEA)

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