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Carebastine

CAT: 0607-BA5410-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5410-5Size:5 mg
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CAS Number
90729-42-3
Form
A solid
Molecular Formula
C32H37NO4
Molecular Weight
499.64
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Carebastine

Carebastine is a diarylmethane.

CAS Number90729-42-3
PubChem CID65820
IUPAC Name2-[4-[4-(4-benzhydryloxypiperidin-1-yl)butanoyl]phenyl]-2-methylpropanoic acid
Molecular FormulaC32H37NO4
Molecular Weight499.6
XLogP3.6
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity690
SMILES
CC(C)(C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C32H37NO4/c1-32(2,31(35)36)27-17-15-24(16-18-27)29(34)14-9-21-33-22-19-28(20-23-33)37-30(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,28,30H,9,14,19-23H2,1-2H3,(H,35,36)
InChIKey
XGHOVGYJHWQGCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carebastine
CAS: 90729-42-3
CID: 65820
Formula: C32H37NO4
MW: 499.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.6
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass499.27225866
Monoisotopic Mass499.27225866
Topological Polar Surface Area66.8 Ų
Heavy Atom Count37
Formal Charge0
Complexity690
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

Alternative Products

CatalogName
FC19812-01Carebastine
005778Carebastine-d5
A12660-25Carebastine 25mg
A12660-2Carebastine 2mg
A12660-100Carebastine 100mg
HY-154747SCarebastine-d6

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