diisobutyl phthalate
(MGWAVDBGNNKXQV-UHFFFAOYSA-N)
Structure
- SMILES
- CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C
- Molecular Formula:
- C16H22O4
- Molecular Weight:
- 278.343
- Log P:
- 3.3122
- Hydrogen Bond Acceptor:
- 4
- Hydrogen Bond Donor:
- 0
- TPSA:
- 52.6
- CAS Number(s):
- 84-69-5
Synonym(s)
1.
diisobutyl phthalate
2.
di-iso-butyl phthalate
External Link(s)
| MeSH | C025605 |
| PubChem Compound | 6782 |
| ChEBI | 79053 |
| CHEMBL | CHEMBL1370662 |
| KEGG | cpd:C15205 |
| ZINC | 388318 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Abnormalities, Drug-Induced | 29458080 | CTD | |
| 2 | Eczema | 29398652 | CTD | |
| 3 | Genital Diseases, Male | 22112501 | CTD | |
| 4 | Premature Birth | 24503621 | CTD |
Powered by :
Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120295
Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.