Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1H-Purine-8-butanoicacid, 2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

5438-71-1

5438-71-1 structure

Name: 1H-Purine-8-butanoicacid, 2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-
Chemical Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)butanoic acid
CAS Number: 5438-71-1
Molecular Formula: C₁₁H₁₄N₄O₄
Molecular Weight: 266.25300
Create Date: 2018-03-07 08:00:00
Modify Date: 2024-01-09 15:20:09

Name	4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)butanoic acid
Synonyms	4-(1,3-dimethylxanth-8-yl)butyric acid 8-Theophyllinebutyric acid 8-carboxypropyltheophylline 8-(3-Carboxypropyl)-1,3-dimethylxanthine 1H-Purine-8-butanoic acid,2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo 8-(3-carboxypropyl)-theophylline Theophylline-8-butyric acid

Density	1.451g/cm3
Boiling Point	613.3ºC at 760mmHg
Molecular Formula	C₁₁H₁₄N₄O₄
Molecular Weight	266.25300
Flash Point	324.7ºC
Exact Mass	266.10200
PSA	109.98000
Index of Refraction	1.609

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5060000

CHEMICAL NAME :: Theophylline-8-butyric acid

CAS REGISTRY NUMBER :: 5438-71-1

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H14-N4-O4

MOLECULAR WEIGHT :: 266.29

WISWESSER LINE NOTATION :: T56 BM DN FNVNVJ C3VQ F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04358

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RIDADR	NONH for all modes of transport
RTECS	XH5060000
HS Code	2933990090

5440-00-6

53715-97-2

5438-71-1

Literature: Hyperion, Inc. Patent: US6060598 A1, 2000 ;

5440-00-6

5438-71-1

Literature: Kim, Hea Ok; Ji, Xiao-duo; Melman, Neli; Olah, Mark E.; Stiles, Gary L.; Jacobson, Kenneth A. Journal of Medicinal Chemistry, 1994 , vol. 37, # 20 p. 3373 - 3382

109418-98-6

5438-71-1

Literature: Kim, Hea Ok; Ji, Xiao-duo; Melman, Neli; Olah, Mark E.; Stiles, Gary L.; Jacobson, Kenneth A. Journal of Medicinal Chemistry, 1994 , vol. 37, # 20 p. 3373 - 3382

108-55-4

5438-71-1

Literature: Kim, Hea Ok; Ji, Xiao-duo; Melman, Neli; Olah, Mark E.; Stiles, Gary L.; Jacobson, Kenneth A. Journal of Medicinal Chemistry, 1994 , vol. 37, # 20 p. 3373 - 3382

Precursor 4
5440-00-6 53715-97-2 109418-98-6 108-55-4
DownStream 0

HS Code	2933990090
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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