Chemical Compound

paraxanthine

CAS Registry Number 611-59-6
paraxanthine chemical structure
Primary Record

paraxanthine

In stock
3,150 g
Purity
99.8 %
CAS
611-59-6

Compound Identifiers & Properties

CAS
611-59-6
PubChem CID
4687
SMILES
CN1C=NC2=C1C(=O)N(C(=O)N2)C
Canonical SMILES
Cn1c(=O)[nH]c2ncn(C)c2c1=O

Names & Synonyms

  • paraxanthine
  • 1,7-Dimethylxanthine
  • p-Xanthine
  • 611-59-6
  • Caffeine Impurity F
  • 1,7-Dimethyl-1H-purine-2,6(3H,7H)-dione
  • Xanthine, 1,7-dimethyl-
  • 1,7-dimethyl-3H-purine-2,6-dione
  • Caffeine Impurity 5
  • 1,7-dimethyl-Xanthine
  • Paraxanthine(72%)
  • Caffeine EP Impurity F
  • Xanthine,7-dimethyl-
  • 1 ,7-Dimethylxanthine
  • 1,7- Dimethylxanthine
  • Paraxanthine (Standard)
  • DTXSID2052281
  • RefChem:417792
  • Spectrum2_001733
  • Spectrum3_000774
  • Spectrum4_001207
  • Spectrum5_001506
  • CHEMBL1158
  • Lopac-D-5385
  • Paraxanthine-1-methyl-d3
  • QUNWUDVFRNGTCO-UHFFFAOYSA-N
  • AC1L1IQ7
  • 3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione
  • Lopac0_000389
  • MFCD00005727
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-
  • BSPBio_002448
  • DTXCID2030853
  • KBioGR_001614
  • UNII-Q3565Y41V7
  • CHEBI:25858
  • MLS000859929
  • DivK1c_000081
  • NSC-400018
  • SCHEMBL232702
  • SPECTRUM2300170
  • EINECS 210-271-9
  • SPBio_001806
  • AC1Q3Z22
  • C7H8N4O2
  • orb1302403
  • SCHEMBL8394406
  • NSC 400018
  • Q3565Y41V7
  • CTK5B2779
  • HMS500E03
  • KBio1_000081
  • KBio3_001668
  • BRN 0197907
  • CID4687
  • 1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione
  • 1,7-Dimethylxanthine/Paraxanthine
  • NINDS_000081
  • 1,7-Dimethyl-1H-purine-2,6-dione
  • 1,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
  • HMS2231K19
  • HMS3261M19
  • HMS3370A12
  • ZINC120234
  • 2,6-Dihydroxy-1,7-dimethylpurine
  • C7-H8-N4-O2
  • CID:4687
  • HY-W016498R
  • MSK10088
  • SEA49041
  • 6-hydroxy-1,7-dimethylpurin-2-one
  • Tox21_303803
  • Tox21_500389
  • BDBM50042210
  • c1102
  • CCG-39489
  • EBC-08063
  • NSC400018
  • Paraxanthine (1,7-Dimethylxanthine)
  • 1,7-Dimethylxanthine, ~98%, solid
  • AKOS015913484
  • ACN-036617
  • CS-W017214
  • FP26762
  • HY-W016498
  • J2.991B
  • LP00389
  • SDCCGSBI-0050376.P003
  • IDI1_000081
  • NCGC00015347-01
  • NCGC00015347-02
  • NCGC00015347-03
  • NCGC00015347-04
  • NCGC00015347-05
  • NCGC00015347-06
  • NCGC00015347-07
  • NCGC00015347-09
  • NCGC00093817-01
  • NCGC00093817-02
  • NCGC00093817-03
  • NCGC00093817-04
  • NCGC00261074-01
  • NCGC00357087-01
  • AS-64037
  • CAFFEINE IMPURITY F [EP IMPURITY]
  • CAS-611-59-6
  • SID:53786868
  • SMR000326790
  • SY249722
  • ZB004082
  • AB1007446
  • DB-005072
  • Eur J Pharmacol 179: 295 (1990)
  • LS-101275
  • 1H-Purine-2, 3,7-dihydro-1,7-dimethyl-
  • 3-(4-METHOXY-1-NAPHTHYL)ACRYLICACID
  • D5696
  • EU-0100389
  • FT-0632550
  • FT-0673516
  • NS00010640
  • 5-26-13-00554 (Beilstein Handbook Reference)
  • KS-00001872
  • purine-2,6(1H,3H)-dione, 1,7-dimethyl-
  • C13747
  • D 5385
  • D94772
  • 1,7-Dimethylxanthine (paraxathine, dimethyl-d6)
  • EN300-1666036
  • 3,7-dihydro-1,7-dimethyl-1H-purine-2,6- dione
  • A853055
  • C021183
  • Q419223
  • SR-01000075184
  • 1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione #
  • 1,7-Dimethylxanthine 100 microg/mL in Acetonitrile
  • A1206313
  • SR-01000075184-1
  • 2-hydroxy-1,7-dimethyl-6,7-dihydro-1H-purin-6-one
  • BRD-K24084088-001-02-2
  • BRD-K24084088-001-06-3
  • BRD-K24084088-001-11-3
  • CAFFEINE MONOHYDRATE IMPURITY F [EP IMPURITY]
  • I14-46941
  • Z1255430986
  • B0084-129330
  • 1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione (Paraxanthine; 1,7-Dimethylxanthine)
  • Paraxanthine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material
  • 1,7-Dimethyl-1H-purine-2,6-dione; 2,6-Dihydroxy-1,7-dimethylpurine; Paraxanthine; 3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione
  • 1,7-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE (Caffeine Impurity F), Pharmaceutical Secondary Standard; Certified Reference Material
  • 117490-41-2
  • 188297-90-7
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-; Paraxanthine (6CI,7CI,8CI); 1,7-Dimethylxanthine; 3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione; NSC 400018; 1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione; Caffeine Imp. F (EP); Paraxanthine; Caffeine Impurity F
  • 210-271-9
  • InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13
  • PXT