Compound Summary
Apomorphine hydrochloride hemihydrate
Compound Information
Apomorphine hydrochloride hemihydrate
Compound Name: | Apomorphine hydrochloride hemihydrate |
Compound CID: | 107882 |
Synonyms: | Apomorphine hydrochloride hemihydrate Apomorphine hydrochloride 41372-20-7 Apomorphine HCl hydrate UNII-F39049Y068 More... |
Iupac Name: | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrate;dihydrochloride |
InChI: | InChI=1S/2C17H17NO2.2ClH.H2O/c2*1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;;;/h2*2-6,13,19-20H,7-9H2,1H3;2*1H;1H2/t2*13-;;;/m11.../s1 |
InChIKey: | CXWQXGNFZLHLHQ-DPFCLETOSA-N |
Canonical Smiles: | CN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)O)O.CN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)O)O.O.Cl.Cl |
Isomeric Smiles: | CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O.CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O.O.Cl.Cl |
Molecular Weight: | 625.6 |
Molecular Formula: | C34H38Cl2N2O5 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Apomorphine hydrochloride hemihydrate
Molecular Weight: | 625.6 |
Molecular Formula: | C34H38Cl2N2O5 |
Hydrogen Bond Donor Count: | 7 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 43 |
Complexity: | 374 |
Synonyms
Apomorphine hydrochloride hemihydrate
| Apomorphine hydrochloride hemihydrate | Apomorphine hydrochloride hemihydrate |
|---|---|
Apomorphine hydrochloride hemihydrate |
Apomorphine hydrochloride |
41372-20-7 |
Apomorphine HCl hydrate |
UNII-F39049Y068 |
Apmorphine hydrochloride hemihydrate |
Apomorphine hydrochloride USP |
Apomorphin hydrochlorid wasser (2/1) |
41372-20-7 (HCl hydrate) |
Apomorphine hydrochloride hydrate |
F39049Y068 |
Uprima (TN) |
6abeta-Aporphine-10,11-diol hydrochloride hemihydrate |
APL-130277 |
DSSTox_CID_28159 |
DSSTox_RID_82721 |
DSSTox_GSID_48185 |
Apomorphine hydrochloride (USP) |
CHEBI:31228 |
Apomorphinium chloride hemihydrate |
(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzode,gquinoline-10,11-diol;hydrate;dihydrochloride |
(R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzode,gquinoline-10,11-diol hydrochloride hemihydrate |
Apokyn (TN) |
CAS-41372-20-7 |
Ixense (TN) |
CHEMBL3187985 |
DTXSID0048185 |
NIOSH/CE0800000 |
HMS1568E04 |
R-APOMORPHINE HCL HEMIHYDRATE |
Tox21_202832 |
Tox21_303480 |
AT18583 |
CCG-220101 |
NSC 755875 |
Apomorphine hydrochloride hydrate (JAN) |
NCGC00257454-01 |
NCGC00260378-01 |
(R)-Apomorphine Hydrochloride Hemihydrate |
4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hemihydrate, (R)- |
4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (2:1), (6aR)- |
CE08000000 |
D02004 |
Q27114230 |
6a-beta-Aporphine-10,11-diol, hydrochloride, hemihydrate |
R-(-)-Apomorphine hydrochloride hemihydrate, calcined, >=98.5% |
Apomorphine Hydrochloride Hemihydrate 1.0 mg/ml in Methanol (as anhydrous free base) |
Apomorphine hydrochloride hemihydrate, European Pharmacopoeia (EP) Reference Standard |
Apomorphine hydrochloride, United States Pharmacopeia (USP) Reference Standard |
4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, HCl, (R)-, hemihydrate |
Experimental Data
Apomorphine hydrochloride hemihydrate
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -2.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Apomorphine hydrochloride hemihydrate
Statistics Data
Apomorphine hydrochloride hemihydrate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -2.000000000000000 | 1 | 1 |
Statistics Data Visualization
Apomorphine hydrochloride hemihydrate
