THEOPHYLLINE MONOHYDRATE

CAS No.
5967-84-0
CCD No.
CCD00075409
Formula
C7 H8 N4 O2 . H2 O
MolWeight
198.181

Basic Information

Product Name: THEOPHYLLINE MONOHYDRATE
CAS: 5967-84-0
English Synonyms: ABLOCK AB-14-5526 ; 1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE, HYDRATE ; 1,3-DIMETHYLXANTHINE MONOHYDRATE ; THEOPHYLLINE MONOHYDRATE
MDL Number.: MFCD00151659
H bond acceptor: 6
H bond donor: 1
Smile: Cn1c2c(c(=O)n(c1=O)C)[nH]cn2.O
InChi: InChI=1S/C7H8N4O2.H2O/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h3H,1-2H3,(H,8,9);1H2
InChiKey: InChIKey=INQSMEFCAIHTJG-UHFFFAOYSA-N

Property

Melting Point: 270-274 DEG C
Comments: BRN: 13463
EINECS: 200-385-7
HARMFUL
HAZARD: R 22
HAZARD: S 36
MERCK: 14,9285
RTECS: XH3850000
TSCA: Y
UN NUMBER: UN2811
UNSPSC: 12352005

Safety information

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