Basic information
- Standard SMILES
O.O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1- InChIKey
WUVRHFANMRXNRX-UHFFFAOYSA-N- Molecular formula
- C27H32N4O2
- Average molar mass
- 444.6 g/mol
Names & identifiers
- Preferred name
- Oxatomide monohydrate
- IUPAC
- 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one;hydrate
Names & synonyms
Oxatomide monohydrateUNII-AH84KRJ5KMAH84KRJ5KMOxatomide monohydrate [WHO-DD]144671-97-62H-Benzimidazol-2-one, 1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-1,3-dihydro-, monohydrate2H-Benzimidazol-2-one, 1-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-1,3-dihydro-, hydrate (1:1)RefChem:202443SCHEMBL7558760WUVRHFANMRXNRX-UHFFFAOYSA-NQ272739221-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-2H-benzimidazol- 2-one
Show more names
1-{3-[4-(diphenylmethyl)-1-piperazinyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one hydrate1{3-[4-(diphenylmethyl)-1-piperazinyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one hydrate
Database identifiers
- CAS
144671-97-6- PubChem CID
- 20506331
- UNII
- AH84KRJ5KM
- EC Number
- 689-147-5
Properties
Computed structural properties
- Topological polar surface area
- 39.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 574
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
3 records
Linked notes
Loading…