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Chemical Product CAS:69815-49-2Noradrenaline bitartrate

CAS:69815-49-2
Noradrenaline bitartrate

  • CAS No:

    69815-49-2
  • Name:

    Noradrenaline bitartrate
  • Molecular Formula:

    C8H11NO3.C4H6O6.H2O
  • Molecular Weight:

    337.28
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Noradrenaline bitartrate ( CASNO:69815-49-2 )

Identification and Related Records
Name:
Noradrenaline bitartrate
CAS Registry number:
69815-49-2
Synonyms:
L-4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol bitartrate
EINECS(EC#):
211-268-5
Molecular Formula:
C8H11NO3.C4H6O6.H2O
Molecular Weight:
337.28
Inchi:
InChI=1S/C8H11NO3.C4H6O6.H2O/c9-4-8(12)5-1-2-6(10)7(11)3-5;5-1(3(7)8)2(6)4(9)10;/h1-3,8,10-12H,4,9H2;1-2,5-6H,(H,7,8)(H,9,10);1H2/t8-;1-,2-;/m01./s1
Canonical SMILES:
C1=CC(=C(C=C1C(CN)O)O)O.C(C(C(=O)O)O)(C(=O)O)O.O
Isomers smiles:
C1=CC(=C(C=C1[C@H](CN)O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.O
Chemical and Physical Properties
Melting Point:
100-106 °C
Alpha:
-46 o (C=0.5, HCL)
Storage temp:
2-8°C
Computed Properties:
Molecular Weight:337.27996 [g/mol]
Molecular Formula:C12H19NO10
H-Bond Donor:9
H-Bond Acceptor:11
Rotatable Bond Count:5
Tautomer Count:10
Exact Mass:337.100896
MonoIsotopic Mass:337.100896
Topological Polar Surface Area:203
Heavy Atom Count:23
Formal Charge:0
Complexity:276
Isotope Atom Count:0
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:3
Safety and Handling
Hazard Codes:
T
Safety:
Hazard Codes: ToxicT
Risk Statements: 26/27/28 
R26/27/28:Very toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 45 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
F: 8-10-23
Transport:
UN 2811 6.1/PG 3
Specification:
 Norepinephrine bitartrate (CAS NO.69815-49-2) is also named as (-)-alpha-(Aminomethyl)-3,4-dihydroxybenzyl alcohol
tartrate (1:1) (salt) monohydrate ; 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)-(R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) (salt), monohydrate ; Arterenol, tartrate, monohydrate ; L-Noradrenaline bitartrate monohydrate ; Levarterenol bitartrate monohydrate ; Levophed ; UNII-IFY5PE3ZRW .
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