Home Bromides 10381-75-6
10381-75-6,MFCD00022664
Catalog No.:AA003NF8
10381-75-6 | 8-bromo-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
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Technical Information
Catalog Number:
AA003NF8
Chemical Name:
8-bromo-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
CAS Number:
10381-75-6
Molecular Formula:
C7H7BrN4O2
Molecular Weight:
259.0601
MDL Number:
MFCD00022664
IUPAC Name:
8-bromo-1,3-dimethyl-7H-purine-2,6-dione
InChI:
InChI=1S/C7H7BrN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
InChI Key:
SKTFQHRVFFOHTQ-UHFFFAOYSA-N
SMILES:
Brc1nc2c([nH]1)n(C)c(=O)n(c2=O)C
EC Number:
233-846-6
UNII:
FZG87K1MQ6
NSC Number:
164940
Properties
Computed Properties
 
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.975g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.063g/mol
Monoisotopic Mass:
257.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
8-Bromotheophylline 
10381-75-6 
FZG87K1MQ6 
8-bromo-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione 
8-bromo-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione 
CHEMBL316160 
SKTFQHRVFFOHTQ-UHFFFAOYSA-N 
8-bromo-1,3-dimethyl-3,7-dihydro-1H-pyrine-2,6-dione 
NCGC00167564-01 
1H-Purine-2,6-dione, 8-bromo-3,9-dihydro-1,3-dimethyl- 
8-bromo-1,3-dimethyl-7H-purine-2,6-dione 
DSSTox_CID_24768 
Bromotheophylline 
DSSTox_RID_80459 
DSSTox_GSID_44768 
8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 
CAS-10381-75-6 
8-bromo-1,3-dimethyl-1,3-dihydropurine-2,6-dione 
EINECS 233-846-6 
8-bromo-theophylline 
NSC 164940 
AC1Q3ZHG 
AC1Q3ZIP 
8-Bromo-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione 
AC1L1Y6I 
Oprea1_299436 
Oprea1_509676 
KSC685S6R 
MLS004754491 
ARONIS24331 
SCHEMBL237881 
ACMC-20989f 
Jsp000390 
DTXSID7044768 
Theophylline, 8-bromo- 
AMMD00018 
CTK5I5968 
KS-00000FJB 
Tox21_112559 
ANW-14977 
ANW-60462 
BBL012666 
BDBM50045345 
CCG-19376 
CP0064 
UNII-FZG87K1MQ6 
MFCD00022664 
NSC164940 
SBB015384 
STK803299 
AKOS000274376 
AKOS001283003 
Tox21_112559_1 
ZINC100005670 
AM85456 
GS-5727 
8-Bromotheophyline 
MCULE-1062341165 
NE22738 
NSC-164940 
VZ35733 
NCGC00167564-03 
NCGC00167564-04 
SMR002397689 
DB-040487 
B3456 
FT-0636693 
1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl- 
ST50323573 
Z3068 
EN300-17892 
8-bromanyl-1,3-dimethyl-7H-purine-2,6-dione 
W-6261 
AB01300038-01 
AB01300038_03 
107295-EP2298766A1 
A800812 
AF-399/37411012 
8-bromo-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione 
SR-01000479300 
1H-Purine-2, 8-bromo-3,7-dihydro-1,3-dimethyl- 
SR-01000479300-1 
W-108837 
Z57161790 
8-bromo-1,3-dimethyl-1H-purine-2,6(3H, 7H)-dione 
F0807-0406 
8-bromo-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione 
Predema 
PAMABROM 
8-Bromo-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 
C7H7BrN4O2 
C7-H7-Br-N4-O2 
CID11808 
NSC14350 
8-Bromotheophylline, 97% - 1G 1g 
10357-68-3 
606-04-2 
Literature

Title: Primary dysmenorrhea among Mexican university students: prevalence, impact and treatment.

Journal: European journal of obstetrics, gynecology, and reproductive biology 20100901

Title: Prevalence and impact of primary dysmenorrhea among Mexican high school students.

Journal: International journal of gynaecology and obstetrics: the official organ of the International Federation of Gynaecology and Obstetrics 20091201

Title: Fixed drug eruption caused by pamabrom.

Journal: Clinical and experimental dermatology 20091001

Title: Serum sickness-like reaction to Pamabrom.

Journal: Journal of drugs in dermatology : JDD 20060301

Title: Tricyclic oxazolo[2,3-f]purinediones: potency as adenosine receptor ligands and anticonvulsants.

Journal: Bioorganic & medicinal chemistry 20040915

Title: Is acetaminophen, and its combination with pamabrom, an effective therapeutic option in primary dysmenorrhoea?

Journal: Expert opinion on pharmacotherapy 20040301

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