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ZW4864

CAT: 0607-BA9139-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA9139-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2632259-93-7
Form
A solid
Molecular Formula
C33H43ClN6O3
Molecular Weight
607.19
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at 4°C.

Chemical Information

(3R)-N-cyclopropyl-1-[3-(2-methyl-1-oxo-1-piperazin-4-ium-1-ylpropan-2-yl)oxyphenyl]-N-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine-3-carboxamide chloride
CAS Number2632259-93-7
PubChem CID156180088
IUPAC Name(3R)-N-cyclopropyl-1-[3-(2-methyl-1-oxo-1-piperazin-4-ium-1-ylpropan-2-yl)oxyphenyl]-N-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine-3-carboxamide chloride
Molecular FormulaC33H43ClN6O3
Molecular Weight607.2
Topological Polar Surface Area98.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count43
Formal Charge0
Complexity913
SMILES
CC(C)(C(=O)N1CC[NH2+]CC1)OC2=CC=CC(=C2)N3CCC[C@H](C3)C(=O)N(CC4=CC=C(C=C4)C5=CNN=C5)C6CC6.[Cl-]
InChI
InChI=1S/C33H42N6O3.ClH/c1-33(2,32(41)37-17-14-34-15-18-37)42-30-7-3-6-29(19-30)38-16-4-5-26(23-38)31(40)39(28-12-13-28)22-24-8-10-25(11-9-24)27-20-35-36-21-27;/h3,6-11,19-21,26,28,34H,4-5,12-18,22-23H2,1-2H3,(H,35,36);1H/t26-;/m1./s1
InChIKey
PQRRIGABHUYXRQ-UFTMZEDQSA-N
Chemical Structure
2D Structure
2D structure of (3R)-N-cyclopropyl-1-[3-(2-methyl-1-oxo-1-piperazin-4-ium-1-ylpropan-2-yl)oxyphenyl]-N-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine-3-carboxamide chloride
CAS: 2632259-93-7
CID: 156180088
Formula: C33H43ClN6O3
MW: 607.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight607.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass606.3085169
Monoisotopic Mass606.3085169
Topological Polar Surface Area98.4 Ų
Heavy Atom Count43
Formal Charge0
Complexity913
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-132300-01ZW4864
T9642-01ZW4864 free base
HY-132300A-01ZW4864 (free base)

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