Articles:
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2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
Notes:
None found
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 652-37-9 Theophylline 7-Acetic Acid > 95% A metabolite of Dyphylline which is a xanthine derivative used to relieve breathing problems caused by bronchial asthma, chronic bronchitis, or emphysema.
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| CAS Number: | 652-37-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 211-490-2 | |
| FDA UNII: | M494UE2YEP | |
| Nikkaji Web: | J7.075K | |
| Beilstein Number: | 0279221 | |
| MDL: | MFCD00022832 | |
| XlogP3: | -0.80 (est) | |
| Molecular Weight: | 238.20350000 | |
| Formula: | C9 H10 N4 O4 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: cosmetic ingredient for skin conditioning
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 555.70 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 554.00 °F. TCC ( 289.90 °C. ) (est) |
| logP (o/w): | -0.490 (est) |
| Soluble in: | |
| water, 1030 mg/L @ 25 °C (exp) | |
| water, 1.873e+004 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
skin conditioning |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Theophylline 7-Acetic Acid > 95%
Odor: characteristic Use: A metabolite of Dyphylline which is a xanthine derivative used to relieve breathing problems caused by bronchial asthma, chronic bronchitis, or emphysema. |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Theophylline-7-acetic acid |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Theophylline-7-acetic acid ≥99.0% (T) |
Safety Information:
| Preferred SDS: View | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
|
intraperitoneal-mouse LD50 1180 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 343, 1956. intravenous-mouse LD50 > 500 mg/kg United States Patent Document. Vol. #4035366 oral-mouse LD50 2733 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 343, 1956. intravenous-rat LD50 > 500 mg/kg United States Patent Document. Vol. #4035366 oral-rat LD50 900 mg/kg French Demande Patent Document. Vol. #2220256 | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | cosmetic ingredient for skin conditioning | ||
| Recommendation for caffeine carboxylic acid usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for caffeine carboxylic acid flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 69550 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid | |
| Chemidplus: | 0000652379 |
| RTECS: | UO7451300 for cas# 652-37-9 |
References:
| 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 69550 |
| Pubchem (sid): | 135027601 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| acefylline | |
| acephylline | |
| 7-( | carboxymethyl)theophylline |
| (1,3- | dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid |
| (1,3- | dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetic acid |
| 2-(1,3- | dimethyl-2,6-dioxo-1,3,7-trihydropurin-7-yl)acetic acid |
| 2-(1,3- | dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid |
| 2-(1,3- | dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetic acid |
| 2-(1,3- | dimethyl-2,6-dioxopurin-7-yl)acetic acid |
| 1,3- | dimethylxanthin-7-ylacetic acid |
| 1,3- | dimethylxanthine-7-acetic acid |
| purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- | |
| 7H- | purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- |
| 7H- | purine-7-acetic acid, 1,2,3,6, -tetrahydro-1,3-dimethyl-2,6-dioxo- |
| 1,2,3,6- | tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic acid |
| 1,2,3,6- | tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetic acid |
| theophyllin-7-ylacetic acid | |
| theophylline-7-acetic acid | |
| theophylline-7-aceticacid | |
| theophylline-7acetic acid | |
| theophyllineacetic acid | |
| 7- | theophyllineacetic acid |
| 7- | theophyllinylacetic acid |