2-nitro-4-carboxyphenyl-N,N-diphenylcarbamate
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Basic information
- CAS
10556-88-4- Standard SMILES
O=C(O)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1- InChIKey
RLNYDAFUTZRAIW-UHFFFAOYSA-N- Molecular formula
- C20H14N2O6
- Average molar mass
- 378.3 g/mol
- Monoisotopic mass
- 378.08518617
Overview
inhibits phospholipase C and serine esterases; structure in first source
Names & identifiers
- Preferred name
- 2-nitro-4-carboxyphenyl-N,N-diphenylcarbamate
- IUPAC
- 4-(diphenylcarbamoyloxy)-3-nitrobenzoic acid
- English name
- 2-NITRO-4-CARBOXYPHENYL-N,N-DIPHENYLCARBAMATE
- Molecular formula
- C20H14N2O6
- Molecular weight
- 378.33
Names & synonyms
10556-88-42-nitro-4-carboxyphenyl-N,N-diphenylcarbamate2-NcdcNcp-dpcmDTXSID80147200Benzoic acid, 4-(((diphenylamino)carbonyl)oxy)-3-nitro-Benzoic acid, 4-[[(diphenylamino)carbonyl]oxy]-3-nitro-RefChem:88678DTXCID3069691NCDC4-((Diphenylcarbamoyl)oxy)-3-nitrobenzoic acid4-(diphenylcarbamoyloxy)-3-nitrobenzoic acid
Show more names
fordirecttitrationofchymotrypsine2-NITRO-4-CARBOXYPHENYL N N- &3-Nitro-4-(diphenylcarbamoyloxy)benzoic acidNCDC 2-Nitro-4-carboxyphenyl-N,N-diphenyl carbamate4-[[(Diphenylamino)carbonyl]oxy]-3-nitrobenzoic acid
4-[(diphenylcarbamoyl)oxy]-3-nitrobenzoic acid2-Nitro-4-carboxyphenyl-N,N-diphenyl carbamateSCHEMBL5064947AKOS016845861ST510150804-((Diphenylcarbamoyl)oxy)-3-nitrobenzoicacid4-(N,N-diphenylcarbamoyloxy)-3-nitrobenzoic acid2-NITRO-4-CARBOXYPHENYL N,N-DIPHENYLCARBAMATE
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 548
Physicochemical properties
- Boiling point
- 561.8 · 561.8±50.0 °C(Predicted)
- Density
- 1.433 · 1.433±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.41 · 3.41±0.10(Predicted)
- WGK Germany
- 3 · 3
- HS Code
- 2924297099 · 2924297099
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
- 3
- hs_code
- 2924297099
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases.
Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).
Applications
Uses2-Nitro-4-carboxyphenyl N,N-Diphenylcarbamate is an inhibitor of Phospholipase C. Also functions in the inhibition of blood coagulation factors II, VII, IX, and X, serine esterase inhibition, and plant-growth regulator.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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