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Deltasonamide 2

CAT: 0926-NID48534-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-NID48534-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2088485-34-9
Smiles
CNC1=NC=CC (=N1) CN (C2CCC (CC2) N) S (=O) (=O) C3=CC=C (C=C3) S (=O) (=O) N (CC4=CC=C (C=C4) Cl) C5CCCC5
Molecular Formula
C30H39ClN6O4S2
Molecular Weight
647.3 g/mol
Controlled
No

Chemical Information

Deltasonamide 2
CAS Number2088485-34-9
PubChem CID135222708
IUPAC Name4-N-(4-aminocyclohexyl)-1-N-[(4-chlorophenyl)methyl]-1-N-cyclopentyl-4-N-[[2-(methylamino)pyrimidin-4-yl]methyl]benzene-1,4-disulfonamide
Molecular FormulaC30H39ClN6O4S2
Molecular Weight647.3
XLogP4.1
Topological Polar Surface Area155
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count43
Formal Charge0
Complexity1070
SMILES
CNC1=NC=CC(=N1)CN(C2CCC(CC2)N)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC4=CC=C(C=C4)Cl)C5CCCC5
InChI
InChI=1S/C30H39ClN6O4S2/c1-33-30-34-19-18-25(35-30)21-37(27-12-10-24(32)11-13-27)43(40,41)29-16-14-28(15-17-29)42(38,39)36(26-4-2-3-5-26)20-22-6-8-23(31)9-7-22/h6-9,14-19,24,26-27H,2-5,10-13,20-21,32H2,1H3,(H,33,34,35)
InChIKey
ZLDUVUWIYLENNC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Deltasonamide 2
CAS: 2088485-34-9
CID: 135222708
Formula: C30H39ClN6O4S2
MW: 647.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight647.3
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass646.2162738
Monoisotopic Mass646.2162738
Topological Polar Surface Area155 Ų
Heavy Atom Count43
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T10994-01Deltasonamide 2
HY-122641-01Deltasonamide 1
T73864-01Deltasonamide 1 TFA
HY-122641C-01Deltasonamide 2 (hydrochloride)
GTR19206074-01Deltasonamide 2 (TFA)
HY-122641D-01Deltasonamide 1 (TFA)
A21970-10Deltasonamide 2 10mg
GTR19229786-01Deltasonamide 2 hydrochloride
A21970-100Deltasonamide 2 100mg
A21970-50Deltasonamide 2 50mg

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