Registration Dossier
Registration Dossier
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EC number: 201-590-4 | CAS number: 85-18-7
Reference substances
- IUPAC name:
- 8-chloro-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
Inventory
- EC number:
- 201-590-4
- EC name:
- 8-chlorotheophylline
- CAS number:
- 85-18-7
- CAS number:
- 85-18-7
Synonyms
- Names:
- 8-chlorotheophylline
- Identifier:
- IUPAC name
- 8-chloro-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
- Identifier:
- other: InChl
- 1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
- Identifier:
- other: SMILES notation
- CN1C(=O)N(C)c2nc(Cl)[nH]c2C1=O
Molecular and structural information
- Molecular formula:
- C7H7ClN4O2
- Molecular weight:
- 214.609
- SMILES notation:
- CN1C(=O)N(C)c2[nH]c(Cl)nc2C1=O
- InChl:
- InChI=1/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
- Structural formula:
Related substances
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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