Details of the Drug Excipient
General Information of Drug Inactive Ingredient (DIG) (ID: E00476)
| DIG Name |
Chlorobutanol hemihydrate
|
||||
|---|---|---|---|---|---|
| Synonyms |
6001-64-5; Chlorobutanol hemihydrate; 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate; UNII-3X4P6271OX; 2-Propanol, 1,1,1-trichloro-2-methyl-, hydrate (2:1); 1,1,1-trichloro-2-methylpropan-2-ol;hydrate; 3X4P6271OX; 1,1,1-Trichloro-2-methylpropan-2-ol hemihydrate; 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, 98%; 1,1,1-trichloro-2-methyl-2-propanol(hydrate) (2:1); PubChem17292; Acetonchloroform hemihydrate; bis(1,1,1-trichloro-2-methylpropan-2-ol) hydrate; SCHEMBL466638; 1,1,1-Trichloro-2-methyl-2-propanol (hydrate) (2:1); DTXSID9022235; MFCD02179352; AKOS016015222; CS-0132468; Q27258164; Chlorobutanol, United States Pharmacopeia (USP) Reference Standard; 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, PESTANAL(R), analytical standard; Chlorobutanol, Pharmaceutical Secondary Standard; Certified Reference Material; 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, meets analytical specification of Ph.??Eur., BP, NF, 98-100.5% (calc with ref. to anhyd. subst.)
|
||||
| DIG Function |
Antimicrobial preservative; Plasticizing agent
|
||||
| Formula |
C8H16Cl6O3
|
||||
| Canonical SMILES |
CC(C)(C(Cl)(Cl)Cl)O.CC(C)(C(Cl)(Cl)Cl)O.O
|
||||
| InChI |
1S/2C4H7Cl3O.H2O/c2*1-3(2,8)4(5,6)7;/h2*8H,1-2H3;1H2
|
||||
| InChIKey |
WRWLCXJYIMRJIN-UHFFFAOYSA-N
|
||||
| Physicochemical Properties | Molecular Weight | 372.9 | Topological Polar Surface Area | 41.5 | |
| XlogP | N.A. | Complexity | 83.8 | ||
| Heavy Atom Count | 17 | Rotatable Bond Count | 0 | ||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 3 | ||