UCSF

ZINC00402954

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 21 Yes

Popular Name: Hydromorphone Hydromorphone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 466-99-9 , 71-68-1

Other Names:

(-)-(5R)-4,5-Epoxy-3-hydroxy-9alpha-methylmorphinan-6-one

(-)-(5R)-4,5-Epoxy-3-hydroxy-9alpha-methylmorphinan-6-one; 4,5-Epoxy-3-hydroxy-17-methylmorphinan-6-one; 4,5alpha-Epoxy-3-hydroxy-17-methyl-6-morphinanone; 6-Deoxy-7,8-dihydro-6-oxomorphine; 7,8-Dihydromorphinone; Dihydromorfinon; Dihydromorphinone; Dimor

(-)-Hydromorphone

(5alpha)-3-hydroxy-17-methyl-4,5-epoxymorphinan-6-one

18145-12-5

3-hydroxy-17-methyl-4,5alpha-epoxymorphinan-6-one

4,5-alpha-Epoxy-3-hydroxy-17-methylmorphinan-6-one hydrochloride; 4,5alpha-Epoxy-3-hydroxy-17-methylmorphinan-6-one hydrochloride; C17H19NO3.HCl; DEA No. 9150; DILAUDID; DILAUDID-HP; Dihydromorphinone hydrochloride; Dilaudid hydrochloride; EINECS 200-762-

4,5-Epoxy-3-hydroxy-17-methylmorphinan-6-one

4,5alpha-Epoxy-3-hydroxy-17-methyl-6-morphinanone

41376-02-7

466-99-9

466-99-9; C07042; Hydromorphone

466-99-9; D08047; Hydromorphone (INN)

6-Deoxy-7,8-dihydro-6-oxomorphine

7,8-Dihydromorphinone

71-68-1; D00839; Dilaudid (TN); Exalgo (TN); Hydromorphone hydrochloride (USP); Palladone (TN)

C07042

CHEBI:5790

CHEMBL398707

CID5284570

D08047

DAP000472

DB00327

DEA No. 9150

Dihydromorfinon

Dihydromorfinon [Czech]

Dihydromorfinon [Czech];Dihydromorphinone;Hidromorfona [INN-Spanish];Hydromorfona [Spanish];Hydromorphon;Hydromorphonum [INN-Latin]

Dihydromorphinone

Dilaudid

Dilaudid Oros

Dilaudid-HP

DiMo

Dimorphone

EINECS 207-383-5

FDA)

Hidromorfona

Hidromorfona [INN-Spanish]

hidromorfona; hydromorphone; hydromorphonum

HSDB 3341

Hydromorfona

Hydromorfona [Spanish]

Hydromorphon

Hydromorphone (BAN

Hydromorphone (INN)

Hydromorphone HCL

Hydromorphone Hydrochloride

Hydromorphone Hydrochloride (FDA

Hydromorphone [INN:BAN]

Hydromorphonum

Hydromorphonum [INN-Latin]

Hymorphan

Idromorfone

Idromorfone [DCIT]

INN)

INN); Hydromorphone HCl (FDA

INN); Hydromorphone HCl (USP

Laudacon

Laudicon

LS-187185

LS-92152

MFCD00864214

MFCD03427563

MolPort-004-285-951

Morphinan-6-one, 4,5-alpha-epoxy-3-hydroxy-17-methyl-

Morphinan-6-one, 4,5-epoxy-3-hydroxy-17-methyl-, (5alpha)-

Morphinan-6-one, 4,5alpha-epoxy-3-hydroxy-17-methyl-

Morphinan-6-one, 4,5alpha-epoxy-3-hydroxy-17-methyl- (8CI)

Morphinone, dihydro-

Novolaudon

NSC 19046

NSC19046

Palladone

Paramorphan

UNII-Q812464R06

USP)

USP); Hydromorphone (BAN

WLN: T B6566 B6/CO 4ABBC R BX FV HO PN GHT&&TTJ JQ P1

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.42 -0.9 -61.65 2 4 1 50 286.351 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.39e+00 g/l DrugBank-approved
UniProt Database Links COR11_PAPSO; COR12_PAPSO; COR13_PAPSO; COR14_PAPSO; COR15_PAPSO ChEBI
Patent Database Links EP0908186; EP1504758; EP1518555; EP1535615; EP1557179; EP1584335; EP1600154; EP1604666; EP1604667; EP1639997; EP1685839; EP1700601; EP1741426; EP1767221; EP1776950; EP1797883; EP1813276; EP1815846; EP1820805; EP1829527; EP1829528; EP1834634; EP1849460; EP ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 38 0.49 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 3 0.57 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 3 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 38 0.49 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 11 0.53 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.28 0.64 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 38 0.49 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 11 0.53 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.28 0.64 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G-protein activation
Opioid Signalling
Peptide ligand-binding receptors

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