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Rimiterol Hydrobromide

CAT: 0572-TRC-R517500-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R517500-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
31842-61-2
Synonyms
1,2-Benzenediol, 4-[(R)-hydroxy-(2S)-2-piperidinylmethyl]-, hydrobromide (1:1), rel-; 1,2-Benzenediol, 4-(hydroxy-2-piperidinylmethyl)-, hydrobromide, (R*,S*)-; 1,2-Benzenediol, 4-[(R)-hydroxy-(2S)-2-piperidinylmethyl]-, hydrobromide, rel- (9CI); 2-Piperidinemethanol, α-(3,4-dihydroxyphenyl)-, hydrobromide, erythro- (8CI); Asmaten; NSC 289336; Pulmadil; R 798; Rimiterol hydrobromide; WG 253
Hazard Statement
May cause an allergic skin reaction
Purity
>95% (HPLC)
Smiles
Br.O[C@@H]([C@@H]1CCCCN1)c2ccc(O)c(O)c2
Molecular Formula
C12 H17 N O3 . Br H
Molecular Weight
304.18
InChI
InChI=1S/C12H17NO3.BrH/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9;/h4-5,7,9,12-16H,1-3,6H2;1H/t9-,12+;/m0./s1
Additionnal Information
IUPAC name: 4-[(R)-hydroxy-[(2S)-piperidin-2-yl]methyl]benzene-1,2-diol;hydrobromide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Rimiterol Hydrobromide

See also: Rimiterol (has active moiety).

CAS Number31842-61-2
PubChem CID70685132
IUPAC Name4-[(R)-hydroxy-[(2S)-piperidin-2-yl]methyl]benzene-1,2-diol;hydrobromide
Molecular FormulaC12H18BrNO3
Molecular Weight304.18
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity224
SMILES
C1CCN[C@@H](C1)[C@@H](C2=CC(=C(C=C2)O)O)O.Br
InChI
InChI=1S/C12H17NO3.BrH/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9;/h4-5,7,9,12-16H,1-3,6H2;1H/t9-,12+;/m0./s1
InChIKey
QPYZEEKXUYXZBK-PKKHVXKMSA-N
Chemical Structure
2D Structure
2D structure of Rimiterol Hydrobromide
CAS: 31842-61-2
CID: 70685132
Formula: C12H18BrNO3
MW: 304.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.18
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass303.04701
Monoisotopic Mass303.04701
Topological Polar Surface Area72.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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