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Procaterol Related Compound 1

CAT: 1596-AR-P02846-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P02846-01Size:10 Units
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CAS Number
62910-96-7
Molecular Formula
C16H22N2O3 HCl
Molecular Weight
290.37 36.46
API Name
Procaterol

Chemical Information

8-hydroxy-5-[(1R,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;8-hydroxy-5-[(1S,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;dihydrochloride
CAS Number62910-96-7
PubChem CID175674223
IUPAC Name8-hydroxy-5-[(1R,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;8-hydroxy-5-[(1S,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;dihydrochloride
Molecular FormulaC32H46Cl2N4O6
Molecular Weight653.6
Topological Polar Surface Area163
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count44
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.Cl.Cl
InChI
InChI=1S/2C16H22N2O3.2ClH/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/t2*12-,16-;;/m10../s1
InChIKey
HNUJHWBUVPATEV-NPGSMHMKSA-N
Chemical Structure
2D Structure
2D structure of 8-hydroxy-5-[(1R,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;8-hydroxy-5-[(1S,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;dihydrochloride
CAS: 62910-96-7
CID: 175674223
Formula: C32H46Cl2N4O6
MW: 653.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight653.6
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass652.2794406
Monoisotopic Mass652.2794406
Topological Polar Surface Area163 Ų
Heavy Atom Count44
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 Count4
Compound Is CanonicalizedYes

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