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Procaterol hydrochloride hydrate

CAT: 0931-T4548-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T4548-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81262-93-3
Target
Adrenergic Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
>99.99%
Bioactivity
Short-acting β2-adrenergic receptor agonist used to treat asthma.
Smiles
Cl.Cl.O.CC(C)N[C@H](CC)[C@@H](O)c1ccc(O)c2NC(=O)C=Cc12.CC(C)N[C@H](CC)[C@@H](O)c2ccc(O)c1NC(=O)C=Cc12
Molecular Formula
C32H48Cl2N4O7
Molecular Weight
671.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Procaterol hydrochloride hemihydrate
CAS Number81262-93-3
PubChem CID23724982
IUPAC Namebis(8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one);hydrate;dihydrochloride
Molecular FormulaC32H48Cl2N4O7
Molecular Weight671.6
Topological Polar Surface Area164
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count45
Formal Charge0
Complexity397
SMILES
CC[C@H]([C@H](C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C.CC[C@H]([C@H](C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C.O.Cl.Cl
InChI
InChI=1S/2C16H22N2O3.2ClH.H2O/c2*1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;;;/h2*5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);2*1H;1H2/t2*12-,16+;;;/m11.../s1
InChIKey
RZKAQAPBCFPJTK-GOPHCVLGSA-N
Chemical Structure
2D Structure
2D structure of Procaterol hydrochloride hemihydrate
CAS: 81262-93-3
CID: 23724982
Formula: C32H48Cl2N4O7
MW: 671.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight671.6
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass670.2900053
Monoisotopic Mass670.2900053
Topological Polar Surface Area164 Ų
Heavy Atom Count45
Formal Charge0
Complexity397
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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