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20111-18-6

20111-18-6 structural image
Product Name: β-Nicotinamide adenine dinucleotide sodium salt
Formula: C21H28N7NaO14P2
Synonyms: NAD;DPN;β-NAD;Nadide;Coenzyme?1
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 685.4 g/mol
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 11
Exact Mass 685.09106681 g/mol
Monoisotopic Mass 685.09106681 g/mol
Topological Polar Surface Area 324 Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 1110
Isotope Atom Count 0
Defined Atom Stereocenter Count 8
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes