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CAT: 0926-RFA77420-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-RFA77420-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
141774-20-1
MDL Number
MFCD00210207
Smiles
CCCCCCCCCCCCC (=O) N1CCCCC1CNC (=O) C (CCCCN) N.O.Cl.Cl
Molecular Formula
C25H54Cl2N4O3
Molecular Weight
529.6 g/mol
Controlled
No

Chemical Information

NPC-15437 dihydrochloride
CAS Number141774-20-1
PubChem CID16219723
IUPAC Name(2S)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride
Molecular FormulaC25H52Cl2N4O2
Molecular Weight511.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count18
Heavy Atom Count33
Formal Charge0
Complexity472
SMILES
CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)[C@H](CCCCN)N.Cl.Cl
InChI
InChI=1S/C25H50N4O2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-18-24(30)29-20-15-13-16-22(29)21-28-25(31)23(27)17-12-14-19-26;;/h22-23H,2-21,26-27H2,1H3,(H,28,31);2*1H/t22?,23-;;/m0../s1
InChIKey
RISSBZWRJRRXTD-OLBPYZPGSA-N
Chemical Structure
2D Structure
2D structure of NPC-15437 dihydrochloride
CAS: 141774-20-1
CID: 16219723
Formula: C25H52Cl2N4O2
MW: 511.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count18
Exact Mass510.3467323
Monoisotopic Mass510.3467323
Topological Polar Surface Area101 Ų
Heavy Atom Count33
Formal Charge0
Complexity472
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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