|
|
Substance Name: Theophylline, 7-(3-((2-(3,5-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)-
RN: 35899-39-9
InChIKey: DMFMRRZRWYTDGW-UHFFFAOYSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C19-H25-N5-O5
Molecular Weight
- 403.436
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Synonyms
- 5-26-14-00031 (Beilstein Handbook Reference)
- 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline
- BRN 0904000
- D 4908
Systematic Name
- Theophylline, 7-(3-((2-(3,5-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)-
Registry Numbers
CAS Registry Number
- 35899-39-9
System Generated Number
- 0035899399
Structure Descriptors
InChI
1S/C19H25N5O5/c1-11(20-9-15(27)12-6-13(25)8-14(26)7-12)4-5-24-10-21-17-16(24)18(28)23(3)19(29)22(17)2/h6-8,10-11,15,20,25-27H,4-5,9H2,1-3H3InChIKey
DMFMRRZRWYTDGW-UHFFFAOYSA-NSmiles
n1(cnc2n(c(n(c(c12)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 40mg/kg (40mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 27, Pg. 14, 1977. |