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Fenoldopam Hydrobromide

CAT: 0572-TRC-F248790-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F248790-25MGSize:25 mg
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CAS Number
67287-54-1
Synonyms
6-Chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-1H-3-benzazepine-7,8-diol Hydrobromide; (±)-Fenoldopam Hydrobromide; (±)-SKF 82526 Hydrobromide; SKF 82526 Hydrobromide;
Hazard Statement
Harmful if swallowed
Smiles
Br.Oc1ccc(cc1)[C@H]2CNCCc3c(Cl)c(O)c(O)cc23
Molecular Formula
C16 H16 Cl N O3 . H Br
Molecular Weight
386.67
InChI
InChI=1S/C16H16ClNO3.BrH/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;/h1-4,7,13,18-21H,5-6,8H2;1H/t13-;/m1./s1
Additionnal Information
IUPAC name: (1R)-6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrobromide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-, hydrobromide (1:1)
CAS Number67287-54-1
PubChem CID11957552
IUPAC Name9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrobromide
Molecular FormulaC16H17BrClNO3
Molecular Weight386.7
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity348
SMILES
C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O.Br
InChI
InChI=1S/C16H16ClNO3.BrH/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;/h1-4,7,13,18-21H,5-6,8H2;1H
InChIKey
DSGOSRLTVBPLCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-, hydrobromide (1:1)
CAS: 67287-54-1
CID: 11957552
Formula: C16H17BrClNO3
MW: 386.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass385.00803
Monoisotopic Mass385.00803
Topological Polar Surface Area72.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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MBS5814286Fenoldopam hydrobromide
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