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Alverine-d5 Citrate

CAT: 0572-TRC-A575782-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A575782-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1215327-00-6
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C([2H])([2H])N(CCCc1ccccc1)CCCc2ccccc2.OC(=O)CC(O)(CC(=O)O)C(=O)O
Molecular Formula
C20 D5 H22 N . C6 H8 O7
Molecular Weight
478.589
InChI
InChI=1S/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1D3,2D2;
Additionnal Information
IUPAC name: 2-hydroxypropane-1,2,3-tricarboxylic acid;N-(1,1,2,2,2-pentadeuterioethyl)-3-phenyl-N-(3-phenylpropyl)propan-1-amine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-hydroxypropane-1,2,3-tricarboxylic acid;N-(1,1,2,2,2-pentadeuterioethyl)-3-phenyl-N-(3-phenylpropyl)propan-1-amine
CAS Number1215327-00-6
PubChem CID46780131
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;N-(1,1,2,2,2-pentadeuterioethyl)-3-phenyl-N-(3-phenylpropyl)propan-1-amine
Molecular FormulaC26H35NO7
Molecular Weight478.6
Topological Polar Surface Area135
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count34
Formal Charge0
Complexity442
SMILES
[2H]C([2H])([2H])C([2H])([2H])N(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1D3,2D2;
InChIKey
RYHCACJBKCOBTJ-LUIAAVAXSA-N
Chemical Structure
2D Structure
2D structure of 2-hydroxypropane-1,2,3-tricarboxylic acid;N-(1,1,2,2,2-pentadeuterioethyl)-3-phenyl-N-(3-phenylpropyl)propan-1-amine
CAS: 1215327-00-6
CID: 46780131
Formula: C26H35NO7
MW: 478.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass478.27273619
Monoisotopic Mass478.27273619
Topological Polar Surface Area135 Ų
Heavy Atom Count34
Formal Charge0
Complexity442
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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