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Primaquine-d3 Diphosphate

CAT: 0572-TRC-P733502-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P733502-1MGSize:1 mg
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CAS Number
1318852-20-8
Synonyms
N4-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine-d3 Phosphate; 8-[(4-Amino-1-methylbutyl)amino]-6-methoxyquinoline-d3 Phosphate; (+/-)-Primaquine-d3 Phosphate; 6-Methoxy-8-[4-amino-1- methylbutylamino]quinoline-d3 Phosphate; NSC 27296-d3; Neo-Quipenyl-d3 Phosphate; Primachin-d3 Phosphate; Primaquin-d8 Phosphate; SN 13272-d3; WR 2975-d3; dl-Primaquine-d3 Phosphate;
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
NCCCC(C)NC1=C2C(C=CC=N2)=CC(OC([2H])([2H])[2H])=C1
Molecular Formula
C15H24D3N3O9P2
Molecular Weight
458.36
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Primaquine-d3 Diphosphate
CAS Number1318852-20-8
PubChem CID53341039
IUPAC Name4-N-[6-(trideuteriomethoxy)quinolin-8-yl]pentane-1,4-diamine
Molecular FormulaC15H21N3O
Molecular Weight262.36
XLogP2.2
Topological Polar Surface Area60.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity262
SMILES
[2H]C([2H])([2H])OC1=CC(=C2C(=C1)C=CC=N2)NC(C)CCCN
InChI
InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/i2D3
InChIKey
INDBQLZJXZLFIT-BMSJAHLVSA-N
Chemical Structure
2D Structure
2D structure of Primaquine-d3 Diphosphate
CAS: 1318852-20-8
CID: 53341039
Formula: C15H21N3O
MW: 262.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.36
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass262.187292540
Monoisotopic Mass262.187292540
Topological Polar Surface Area60.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity262
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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