Basic information
- CAS
10335-69-0- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NO- InChIKey
LTXHELLMCCEDJG-KTKRTIGZSA-N- Molecular formula
- C18H35NO2
- Average molar mass
- 297.5 g/mol
- Monoisotopic mass
- 297.26677936
Overview
RN given refers to (9Z)-isomer; OA-Hy is the (cis)-isomer; a matrix metalloproteinase-2 inhibitor
Names & identifiers
- Preferred name
- (9Z)-N-Hydroxy-9-octadecenamide
- IUPAC
- (Z)-N-hydroxyoctadec-9-enamide
- English name
- Oleylhydroxamic acid
- Molecular formula
- C18H35NO2
- Molecular weight
- 297.48
Names & synonyms
10335-69-0N-Hydroxy-9-octadecenamideOA-Hy cpd9-octadecenoyl-N-hydroxylamide9-Octadecenamide, N-hydroxy-, (9Z)-DTXSID80884461RefChem:830128(9Z)-N-Hydroxy-9-octadecenamideDTXCID801023902233-728-4N-Hydroxyoleamidemmp-2 inhibitor i
Show more names
N-Hydroxyoleic amideOleoylhydroxamic acid(Z)-N-Hydroxy-9-octadecenamide(9Z)-9-Octadecenehydroxamic acid
Oleylhydroxamic acidN-Hydroxyoleylamide(Z)-N-hydroxyoctadec-9-enamide(9Z)-N-HYDROXYOCTADEC-9-ENAMIDEEINECS 233-728-4CHEMBL276537SCHEMBL6891974LTXHELLMCCEDJG-KTKRTIGZSA-N
Database identifiers
- CAS
10335-69-0- PubChem CID
- 6436367
- DTXSID
DTXSID80884461- ChEMBL
CHEMBL276537- EC Number
- 233-728-4
- Nikkaji
- J236.774B
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 61 °C · 61 °C
- Density
- 0.921 · 0.921±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 50 mg/ml · ≤50mg/ml in ethanol;50mg/ml in DMSO;50mg/ml in dimethyl formamide
- form
- crystalline solid
- pka
- 9.48 · 9.48±0.20(Predicted)
- color
- White to off-white
- InChI
- 1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19-21/h9-10,21H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
- InChIKey
- LTXHELLMCCEDJG-KTKRTIGZSA-N
- SMILES
- N(O)C(=O)CCCCCCC\C=C/CCCCCCCC
- EPA Substance Registry System
- N-Hydroxyoleylamide (10335-69-0)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 1
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H315-H319-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9-Octadecenamide, N-hydroxy-, (9Z)-: INACTIVE
Applications
UsesMMP-2 Inhibitor I (OA-Hy) is a potent MMP-2 inhibitor with a Ki of 1.7 μM[1].
Suppliers10 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海复青化学科技有限公司13816107857 · [email protected]
上海圣酮生物医药有限公司15065661979 15065661979 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
天门恒昌化工有限公司027-59322316 15172518801 · [email protected]
常州辰鸿生物科技有限公司+86-0519-85788828 +86-13775037613 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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