FAD

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Names

[ CAS No. ]:
146-14-5

[ Name ]:
FAD

[Synonym ]:
Adenosine 5'-(Trihydrogen Diphosphate) 5'®5'-Ester With Riboflavine
Riboflavine 5'-(Trihydrogen Diphosphate) 5'®5'-Ester with Adenosine
Riboflavine 5'-Adenosine Diphosphate
Flavin adenin dinucleotide
FLAVIN ADENINE DINUCLEOTIDE
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
Flavine Adenine
1H-Purin-6-amine Flavin Dinucleotide
EINECS 282-733-8
Riboflavine 5'-Ester with Adenosine 5'-Diphosphate
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate

Chemical & Physical Properties

[ Density]:
2.1±0.1 g/cm3

[ Molecular Formula ]:
C27H33N9O15P2

[ Molecular Weight ]:
785.550

[ Exact Mass ]:
785.157104

[ PSA ]:
382.55000

[ LogP ]:
-2.93

[ Index of Refraction ]:
1.850

[ Storage condition ]:
−20°C

[ Stability ]:
Stable. Incompatible with strong oxidizing agents.

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AU7470000
CHEMICAL NAME :
Adenosine 5'-(trihydrogen pyrophosphate), 5'-5'-ester with riboflavine
CAS REGISTRY NUMBER :
146-14-5
BEILSTEIN REFERENCE NO. :
0078150
LAST UPDATED :
199806
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C27-H33-N9-O15-P2
MOLECULAR WEIGHT :
785.63
WISWESSER LINE NOTATION :
DT56 BN DN FN HNJ IZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>7 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,1124,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
589 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,1124,1995 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3863 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 29 (estimated) No. of Female Employees: 22 (estimated)

Safety Information

[ Safety Phrases ]:
24/25

[ WGK Germany ]:
3

[ RTECS ]:
AU7470000

[ HS Code ]:
29349990

Synthetic Route

Precursor & DownStream

Precursor

  • 5'-Adenylic acid
  • Riboflavine phosphate
  • Adenosine triphosphate
  • FADH2

DownStream

  • Lumiflavine
  • 5'-Adenylic acid
  • Riboflavine phosphate
  • Riboflavine
  • Benzo[g]pteridine-10 (2H)-acetaldehyde, 3,4-dihydro-7,8-dimethyl-2, 4-dioxo-

Related Compounds

  • mFAD
  • 2-fad
  • 19-Fad
  • Fad-3'-P
  • 6-SH-Fad
  • 6-Scn-fad
  • N-({1-[3-(2,6-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}methyl)-N-methylacetamide
  • N-({1-[3-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-yl}methyl)-N-methylacetamide
  • 6-(2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)-1-(4-fluorophenyl)-4-isopropyl-1H-pyrazolo[3,4-d]pyridazin-7(6H)-one
  • 1-(4-fluorophenyl)-6-(2-(indolin-1-yl)-2-oxoethyl)-4-isopropyl-1H-pyrazolo[3,4-d]pyridazin-7(6H)-one
  • 2-(1-(4-fluorophenyl)-4-isopropyl-7-oxo-1H-pyrazolo[3,4-d]pyridazin-6(7H)-yl)acetamide
  • N-methyl-N-({1-[3-(2-methylphenoxy)propyl]-1H-benzimidazol-2-yl}methyl)acetamide
  • N-({1-[3-(3,5-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}methyl)-N-methylacetamide
  • N-methyl-N-({1-[3-(3-methylphenoxy)propyl]-1H-benzimidazol-2-yl}methyl)acetamide
  • N-({1-[3-(3-methoxyphenoxy)propyl]-1H-benzimidazol-2-yl}methyl)-N-methylacetamide
  • N-methyl-N-({1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl}methyl)acetamide
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