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(R) -Apomorphine-d4 hydrochloride

CAT: 0926-BDA78763-01Size: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0926-BDA78763-01Size:0.5 mg
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CAS Number
76787-63-8
Smiles
CN1CCC2=C3C1CC4=C (C3=CC=C2) C (=C (C=C4) O) O.Cl
Molecular Formula
C17H18ClNO2
Molecular Weight
308.8 g/mol
Controlled
No

Chemical Information

(R)-Apomorphine-d5 Hydrochloride (Major)
CAS Number76787-63-8
PubChem CID71313467
IUPAC Name(6aR)-1,2,3,8,9-pentadeuterio-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrochloride
Molecular FormulaC17H18ClNO2
Molecular Weight308.8
Topological Polar Surface Area43.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity374
SMILES
[2H]C1=C(C2=C3[C@@H](CC4=C(C3=C1[2H])C(=C(C(=C4[2H])[2H])O)O)N(CC2)C)[2H].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/t13-;/m1./s1/i2D,3D,4D,5D,6D;
InChIKey
SKYZYDSNJIOXRL-KJVIRAPFSA-N
Chemical Structure
2D Structure
2D structure of (R)-Apomorphine-d5 Hydrochloride (Major)
CAS: 76787-63-8
CID: 71313467
Formula: C17H18ClNO2
MW: 308.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight308.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass308.1339902
Monoisotopic Mass308.1339902
Topological Polar Surface Area43.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity374
Isotope Atom Count5
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes