Basic information
- CAS
62008-21-3- Standard SMILES
CCOC(=O)/C=C/C(=O)[O-].CCOC(=O)/C=C/C(=O)[O-].[Zn+2]- InChIKey
DASOVGGSCVXZMC-SYWGCQIGSA-L- Molecular formula
- C12H14O8Zn
- Average molar mass
- 351.6 g/mol
- Monoisotopic mass
- 349.998009
Overview
See other relationships...
Names & identifiers
- Preferred name
- Zinc diethyl difumarate
- IUPAC
- zinc bis((E)-4-ethoxy-4-oxobut-2-enoate)
- English name
- FUMARIC ACID MONOETHYL ESTER, ZINC SALT
- Molecular formula
- C12H14O8Zn
- Molecular weight
- 351.62
Names & synonyms
Zinc diethyl difumarateRefChem:90493562008-21-3zinc monoethylfumaratezinc ethyl fumarateUNII-M1U6WWM55BM1U6WWM55BFumaric Acid Monoethyl Ester Zinc Salt (2:1)zinc;(E)-4-ethoxy-4-oxobut-2-enoateEINECS 263-368-3NSC 2452982-BUTENEDIOIC ACID (2E)-, 1-ETHYL ESTER, ZINC SALT (2:1)
Show more names
Nsc245298ZinkdiethyldifumaratFUMARIC ACID MONOETHYL ESTER, ZINC SALTzinc,(E)-4-ethoxy-4-oxobut-2-enoic acidBis[3-(ethoxycarbonyl)propenoic acid]zinc saltBis[(E)-3-(ethoxycarbonyl)propenoic acid]zinc salt2-Butenedioic acid (2E)-, monoethyl ester, zinc salt
NSC-245298FUMARICACIDMONOETHYLESTER,ZINCSALTETHYL FUMARATE ZINCmonoethyl fumarate zinc saltSCHEMBL1902730ZINC DI(ETHYL FUMARATE)DASOVGGSCVXZMC-SYWGCQIGSA-LETHYL HYDROGENFUMARATE-ZINC
Database identifiers
- CAS
62008-21-3
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Melting point
- 300 °C · 300 °C (dec.)(lit.)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly), Water (Slightly)
- form
- Solid
- color
- Off-White
- InChI
- InChI=1S/2C6H8O4.Zn/c2*1-2-10-6(9)4-3-5(7)8;/h2*3-4H,2H2,1H3,(H,7,8);/q;;+2/p-2/b2*4-3+;
- InChIKey
- DASOVGGSCVXZMC-SYWGCQIGSA-L
- SMILES
- C(=O)(O[Zn]OC(=O)/C=C/C(=O)OCC)/C=C/C(=O)OCC
- FDA UNII
- 1 U6WWM55B · M1U6WWM55B
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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, 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)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 1
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesFumaric Acid Monoethyl Ester Zinc Salt, is the salt of Fumaric Acid Monoethyl Ester (F500385), which is an anti-psoriatic fumaric acid ester. Fumaric Acid Monoethyl Ester inhibited thymidine-14C incorporation into DNA by cultured human lymphocytes. Fumaric Acid Monoethyl Ester has been shown to evoke transient increase in intracellular free calcium concentration and inhibit proliferation of human keratinocytes.
Suppliers15 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
卓瑞宁（上海）科技有限公司18163338995 18163338995 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
思瑞彼科技(武汉)有限公司027-88063677 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
湖南嘉航医药科技有限公司85567275 18932438858 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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