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Basic information
- CAS
175033-36-0- Standard SMILES
CC(=O)Oc1ccccc1C(=O)Oc1cccc(CO[N+](=O)[O-])c1- InChIKey
IOJUJUOXKXMJNF-UHFFFAOYSA-N- Molecular formula
- C16H13NO7
- Average molar mass
- 331.28 g/mol
- Monoisotopic mass
- 331.06920176
Names & identifiers
- Preferred name
- 3-((Nitrooxy)methyl)phenyl 2-(acetyloxy)benzoate
- IUPAC
- 3-[(Nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate
- English name
- NO-ASPIRIN 1
- Molecular formula
- C16H13NO7
- Molecular weight
- 331.28
Names & synonyms
nitroaspirinC102148NCX 4016NO-ASPIRIN 1Nitroaspirin, 10 mM in DMSONitric oxide-releasing aspirin3-(NitroxyMethyl)phenyl 2-acetoxybenzoate[3-(nitrooxymethyl)phenyl] 2-acetyloxybenzoate2-Acetoxybenzoate-2-(1-nitroxymethyl)phenyl ester2-AcetyloxybenzoicAcid3-NitrooxymethylphenylEster
Database identifiers
- CAS
175033-36-0- PubChem CID
- 119032
- DTXSID
DTXSID60938618- ChEMBL
CHEMBL374385- ChEBI
CHEBI:125482- UNII
- EH04H13L6B
- Nikkaji
- J1.584.648H
Properties
Physicochemical properties
- Melting point
- 61 · 61-62°C
- Boiling point
- 499.3 · 499.3±40.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- powder
- color
- white to beige
- InChI
- 1S/C16H13NO7/c1-11(18)23-15-8-3-2-7-14(15)16(19)24-13-6-4-5-12(9-13)10-22-17(20)21/h2-9H,10H2,1H3
- InChIKey
- IOJUJUOXKXMJNF-UHFFFAOYSA-N
- SMILES
- CC(OC1=CC=CC=C1C(OC2=CC(CO[N+]([O-])=O)=CC=C2)=O)=O
- NCI Dictionary of Cancer Terms
- 4016 · NCX 4016
- FDA UNII
- 4 H13L6B · EH04H13L6B
- UNSPSC Code
- 51111800 · 51111800
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesNitroaspirin (NCX 4016) is a nitric oxide (NO) donor and a nitro-derivative of Aspirin, which combines with Nitroaspirin to inhibit cyclooxygenase. Nitroaspirin (NCX 4016) has antithrombotic and anti-platelet properties and acts as a direct and irreversible inhibitor of COX-1. Nitroaspirin (NCX 4016) causes significant induction of cell cycle arrest and apoptosis in Cisplatin-resistant human ovarian cancer cells via down-regulation of EGFR/PI3K/STAT3 signaling and modulation of Bcl-2 family proteins[1][2][3][4].
Suppliers14 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
InvivoChem中国13549236410 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
DefinitionChEBI: 2-acetyloxybenzoic acid [3-(nitrooxymethyl)phenyl] ester is a carbonyl compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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