CAS Registry Number®
58-55-9
CAS Name
Theophylline
Molecular Formula
C7H8N4O2
Molecular Mass
180.16
Compound Properties
-
Melting Point (1)
270 °C
Source(s)
- (1) International Chemical Safety Cards data were obtained from the National Institute for Occupational Safety and Health (US)
Other Names and Identifiers
InChI
InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
InChIKey
InChIKey=ZFXYFBGIUFBOJW-UHFFFAOYSA-N
SMILES
O=C1C2=C(N(C)C(=O)N1C)N=CN2
Canonical SMILES
O=C1C=2NC=NC2N(C(=O)N1C)C
Other Names for this Substance
- 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-
- Theophylline
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-
- 3,9-Dihydro-1,3-dimethyl-1H-purine-2,6-dione
- 1,3-Dimethylxanthine
- Elixophylline
- Pseudotheophylline
- Theophyllin
- Elixophyllin
- Theograd
- Solosin
- Lanophyllin
- Liquophylline
- Optiphyllin
- Parkophyllin
- Theofol
- Theolair
- Slo-Phyllin
- Nuelin
- Theo-Dur
- Theona P
- Quibron T/SR
- Theodel
- Uniphyllin
- Euphylong
- Armophylline
- Theotard
- Teonova
- Elan
- Spophyllin retard
- Austyn
- Asmax
- Duraphyl
- Egifilin
- Quibron T
- Uniphyl
- Theodrip
- Theopek
- Pulmo-Timelets
- Sustaire
- Bilordyl
- Somophyllin CRT
- Theostat
- Afonilm
- Bronkodyl
- Unifyl
- Etheophyl
- Cetraphylline
- Theon
- Slo-Bid
- Theo-Sav
- Theovent
- Xanthium
- Theo 24
- Theobid
- Theoclear
- Talotren
- Constant T
- Aerolate
- Theophyl
- Lasma
- Brochoretard
- Theobid Duracap
- Theochron
- Duraphyllin
- LaBID
- Theoplus
- Aerobin
- Tesona
- Physpan
- PulmiDur
- Pro-Vent
- Accurbron
- Diffumal
- Somophyllin T
- Respbid
- Teocen 200
- NSC 2066
- Unilong
- Chronophyllin
- Theo-Nite
- Respicur
- Telb-DS
- Theo-DS
- Theodur Dry Syrup
- Telbans Dry Syrup
- Insanovin
- Unicontin CR
- Telbans
- Controfilina 200
- phylobid
- Apnecut
- Throphylline
- GM 501 SpermMobil
- Teotard
- Teotard 350
- 1,3-Dimethyl-1H-purine-2,6(3H,7H)-dione
- 1,3-Dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
- 1,3-Dimethyl-3,7-dihydro-purine-2,6-dione
- 1,3-Dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
- 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione
- MeSH ID: D013806
Deleted or Replaced CAS Registry Numbers
46157-00-0, 56645-32-0, 75448-53-2, 111079-49-3, 1024160-72-2
