Nitromethanetrispropionic acid
Product Information
Molecular Formula
C10H15NO8
Molecular Weight
277.23
Description
Nitromethanetrispropionic acid is an indispensible compound in the biomedical sector and manifests remarkable promise as an efficacious cancer treatment. Its distinct chemical configuration contributes to its efficacy in selectively obstructing and restraining tumor proliferation.
Synonyms
LABOTEST-BB LT00645778; 4-(2-CARBOXYETHYL)-4-NITRO HEPTANEDIOIC ACID; RARECHEM AL BO 1279; NITROMETHANETRISPROPIONIC ACID; 1,1,1-Tris(2-carboxyethyl)nitromethane; 4-(2-carboxyethyl)-4-nitropimelic acid; 4-(2-Carboxyethyl)-4-nitroheptanedioic acid, 4-(2-Carbo
IUPAC Name
4-(2-carboxyethyl)-4-nitroheptanedioic acid
SMILES
C(CC(CCC(=O)O)(CCC(=O)O)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C10H15NO8/c12-7(13)1-4-10(11(18)19,5-2-8(14)15)6-3-9(16)17/h1-6H2,(H,12,13)(H,14,15)(H,16,17)
InChI Key
JCMYUFMDOYGRKD-UHFFFAOYSA-N
Melting Point
181-184 °C (lit.)
Flash Point
Not applicable
Purity
0.97
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
XLogP3
-0.6
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
9
Exact Mass
277.07976644 g/mol
Monoisotopic Mass
277.07976644 g/mol
Topological Polar Surface Area
158Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
327
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2019173705-A1 | Avobenzone-dendrimer conjugates | 2018-03-08 |
| US-2021100733-A1 | Avobenzone-dendrimer conjugates | 2018-03-08 |
| EP-3546470-A1 | Clearing agent | 2016-11-25 |
| JP-WO2018097239-A1 | Clearing agent | 2016-11-25 |
| US-2019382435-A1 | Clearing agent | 2016-11-25 |
| WO-2018097239-A1 | Clearing agent | 2016-11-25 |
| US-2016228565-A1 | Polyamide based peptidodendrimer conjugates | 2014-12-24 |
| US-2016158258-A1 | Prevention and treatment of inflammatory conditions | 2014-12-09 |
| WO-2016094226-A1 | Prevention and treatment of inflammatory conditions | 2014-12-09 |
| EP-3229811-B1 | Prevention and treatment of inflammatory conditions | 2014-12-09 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 11978127 | 2002-05-06 | Tripodal pseudopeptides with three histidine or cysteine donors: synthesis and zinc complexation | Inorganic chemistry |
