Basic information
- CAS
332388-37-1- Standard SMILES
COC(=O)Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C- InChIKey
GWJSXFITWCDWOZ-UHFFFAOYSA-N- Molecular formula
- C13H17N5O5
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 323.12296866
Names & identifiers
- Preferred name
- ME (3-ME-8-(4-Morpholinyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL)acetate
- IUPAC
- methyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate
- English name
- SALOR-INT L249025-1EA
- Molecular formula
- C13H17N5O5
- Molecular weight
- 323.3
Names & synonyms
332388-37-1ME (3-ME-8-(4-MORPHOLINYL)-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL)ACETATERefChem:810734650-853-3methyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetatemethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetateOprea1_687150Oprea1_854169STL047035AKOS005700463AKOS015862038VU0607588-1
Show more names
SALOR-INT L249025-1EA7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-3-methyl-8-(4-morpholinyl)-2,6-dioxo-, methyl ester
AG-690/40640158F3259-0252methyl (3-methyl-8-morpholin-4-yl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetatemethyl [6-hydroxy-3-methyl-8-(morpholin-4-yl)-2-oxo-2,3-dihydro-7H-purin-7-yl]acetate
Database identifiers
- CAS
332388-37-1- PubChem CID
- 847166
- EC Number
- 650-853-3
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 509
Physicochemical properties
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- 9.36 · 9.36±0.70(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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