Chelist Moleculee
JRC CODE:JRC-000373
cas:33386-08-2
einecs:251-489-4
smiles:O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4
name:8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dione monohydrochloride
component:36505-84-7
MW:385.5031
formula:C21H31N5O2
InChi:
InChiKey:
SMARTS:
Other names
8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, hydrochloride (1:1)
1,1-Cyclopentanediacetimide, N-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, monohydrochloride (8CI)
8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, monohydrochloride (9CI)
8-[4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dione hydrochloride
Ansial
Ansiced
Ansiten
Axoren
Bespar
Buscalma
Buspa
Buspar
Buspimem
Buspinol
Buspirone hydrochloride
Buspirone monohydrochloride
Buspisal
Busron
Censpar
Lucelan
MJ 9022-1
Narol
Travin

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
JRC HEPATOTOX (111): Hepatotox list (JRC Projects)