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(S)-Apomorphine Hydrochloride

CAT: 0572-TRC-A727505-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A727505-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41035-30-7
Synonyms
4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride (1:1), (6aS)-; 4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, (S)- (9CI); (6aS)-10,11-Dihydroxyaporphine hydrochloride; (S)-(+)-Apomorphine hydrochloride; (S)-Apomorphine hydrochloride; (S)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol hydrochloride; (S)-5,6,6a,7-Tetrahydro-6-methyl- 4H-dibenzo[de,g]quinoline-10,11-diol Hydrochloride;
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cl.CN1CCc2cccc3c2[C@@H]1Cc4ccc(O)c(O)c34
Molecular Formula
C17 H17 N O2 . H Cl
Molecular Weight
303.78
InChI
InChI=1S/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H/t13-;/m0./s1
Additionnal Information
IUPAC name: (6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

S(+)-10,11-dihydroxyaporphine
CAS Number41035-30-7
PubChem CID5702010
IUPAC Name6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrochloride
Molecular FormulaC17H18ClNO2
Molecular Weight303.8
Topological Polar Surface Area43.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity374
SMILES
CN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)O)O.Cl
InChI
InChI=1S/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H
InChIKey
SKYZYDSNJIOXRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S(+)-10,11-dihydroxyaporphine
CAS: 41035-30-7
CID: 5702010
Formula: C17H18ClNO2
MW: 303.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass303.1026065
Monoisotopic Mass303.1026065
Topological Polar Surface Area43.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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465555S-Apomorphine Hydrochloride
sc-253505A(S) - (+) -Apomorphine hydrochloride
573454(S)-Apomorphine Hydrochloride
CS-O-14772(S) -Apomorphine D5 Hydrochloride
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531003Apomorphine Hydrochloride
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