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Home > Products > Natural Products & Standards > Alkaloids > 1-N-hexyltheobromine
1-N-hexyltheobromine structure, CAS 1028-33-7

1-N-hexyltheobromine

CAS Number1028-33-7

Synonyms1-hexyl-3,7-dimethylpurine-2,6-dione; EINECS 213-842-0; MFCD00041424

Molecular FormulaC13H20N4O2

Molecular Weight264.32300

Purity98%

Density1.23g/cm3

Boiling Point452.5ºC at 760mmHg

Melting Point80-81°C

Flash Point

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Cat. No.: 2A-9008958 Purity: 98%
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Quality Control of [ 1028-33-7 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number1028-33-7
Catalog No.2A-9008958
Chinese Name1-己基-3,7-二甲基-1H-嘌呤-2,6(3H,7H)-二酮
Synonyms1-hexyl-3,7-dimethylpurine-2,6-dione; EINECS 213-842-0; MFCD00041424
Molecular FormulaC13H20N4O2
Molecular Weight264.32300
Purity98
Density1.23g/cm3
Boiling Point452.5ºC at 760mmHg
Melting Point80-81°C
Storage ConditionKeep container sealed and stored in a cool, dry pl
ApplicationPentifylline is a vasodilator. Pentifylline inhibits platelet aggregation and thromboxane A2 synthesis, reducing free radical release. Pentifylline has the potential to study acute ischemic stroke [1]
HTC2933990090
SMILESCCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3
InChI KeyMRWQRJMESRRJJB-UHFFFAOYSA-N
Use ofPentifylline is a vasodilator. Pentifylline inhibits platelet aggregation and thromboxane A2 synthesis, decrease the release of free radicals. Pentifylline has the potential for the research of acute ischaemic stroke[1]. Properties Name 1-n-hexyltheobromine Synonym More Synonyms Pentifylline Biological Activity Description Pentifylline is a vasodilator. Pentifylline inhibits platelet aggregation and thromboxane A2 synthesis, decrease the release of free radicals. Pentifylline has the potential for the research of acute ischaemic stroke[1]. Related Catalog Research Areas >> Cardiovascular Disease Signaling Pathways >> Others >> Others References [1]. Bath PM, et al. Pentoxifylline, propentofylline and pentifylline for acute ischaemic stroke. Cochrane Database Syst Rev. 2004;(3):CD000162. Chemical & Physical Properties Molecular Formula C13H20N4O2 Exact Mass 264.15900 PSA 61.82000 LogP 1.01400 Index of Refraction 1.602 InChIKey MRWQRJMESRRJJB-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 1H-Purine-2,6-dione, 3,7-dihydro-1-hexyl-3,7-dimethyl- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C13-H20-N4-O2 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 24,431,1973 Safety Information Hazard Codes Xi: Irritant;Xn: Harmful; Risk Phrases R22 RTECS UO8450000 HS Code 2933990090 Synthetic Route Total: 1 Page Theobromine CAS#:83-67-0 Pentifylline CAS#:1028-33-7 Literature: Larsen, Aaron T.; May, Erin M.; Auclair, Karine Journal of the American Chemical Society, 2011 , vol. 133, # 20 p. 7853 - 7858 1-Bromohexane CAS#:111-25-1 Pentifylline CAS#:1028-33-7 Literature: DE860217 , ; DRP/DRBP Org.Chem. Theobromine CAS#:83-67-0 chlorohexane CAS#:544-10-5 Pentifylline CAS#:1028-33-7 Literature: DE860217 , ; DRP/DRBP Org.Chem. Precursor & DownStream Precursor 3 CAS#:83-67-0 Theobromine CAS#:111-25-1 1-Bromohexane CAS#:544-10-5 chlorohexane DownStream 0
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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