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DDP-38003 dihydrochloride

CAT: 0926-GYC16798-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-GYC16798-01Size:10 mg
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CAS Number
1831167-98-6
Smiles
CN1CCN (CC1) C2=CC=C (C=C2) C (=O) NC3=CC=C (C=C3) C4CC4N.Cl.Cl
Molecular Formula
C21H28Cl2N4O
Molecular Weight
423.4 g/mol
Controlled
No

Chemical Information

DDP-38003 dihydrochloride
CAS Number1831167-98-6
PubChem CID102004295
IUPAC NameN-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide;dihydrochloride
Molecular FormulaC21H28Cl2N4O
Molecular Weight423.4
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity474
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)[C@@H]4C[C@H]4N.Cl.Cl
InChI
InChI=1S/C21H26N4O.2ClH/c1-24-10-12-25(13-11-24)18-8-4-16(5-9-18)21(26)23-17-6-2-15(3-7-17)19-14-20(19)22;;/h2-9,19-20H,10-14,22H2,1H3,(H,23,26);2*1H/t19-,20+;;/m0../s1
InChIKey
HFSFENIQYFFMGC-HUQPAIQZSA-N
Chemical Structure
2D Structure
2D structure of DDP-38003 dihydrochloride
CAS: 1831167-98-6
CID: 102004295
Formula: C21H28Cl2N4O
MW: 423.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass422.1640169
Monoisotopic Mass422.1640169
Topological Polar Surface Area61.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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