Basic information
- CAS
129273-38-7- Standard SMILES
Cl.O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1- InChIKey
HIZFAPMOZFYELI-GNXQHMNLSA-N- Molecular formula
- C23H31ClN4O2S
- Average molar mass
- 463 g/mol
- Monoisotopic mass
- 462.1856251
Names & identifiers
- Preferred name
- SM 9018
- IUPAC
- (3aR,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
- English name
- Perospirone hydrochloride
- Molecular formula
- C23H30N4O2S.ClH
- Molecular weight
- 463.04
Names & synonyms
Perospirone hydrochloride129273-38-7SM-9018DTXSID9046449SM 9018T884I76TMNDTXCID7026449RefChem:171807889-491-8PEROSPIRONE HClPerospirone (hydrochloride)(3aR,7aS)-2-(4-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)butyl)hexahydro-1H-isoindole-1,3(2H)-dione hydrochloride
Show more names
LullanPEROSPIRONE HYDROCHLORIDE HYDRATELullaD8-Perospirone HCl2H8]-Perospirone HClPiropilone (hydrochloride)Perospirone HCl hydrate - Bio-X ?
SM-9018 hydrochloriderel-(3aR,7aS)-2-(4-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)butyl)hexahydro-1H-isoindole-1,3(2H)-dione hydrochlorideMFCD00890882(3aS,7aR)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochlorideSMR000466362CAS-129273-38-7C23H31ClN4O2S1H-Isoindole-1,3(2H)-dione, 2-[4-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]butyl]hexahydro-, hydrochloride (1:1), (3aR,7aS)-rel-
Database identifiers
- CAS
129273-38-7
Properties
Computed structural properties
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 615
Physicochemical properties
- Melting point
- 95 · 95-970C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- InChIKey
- HIZFAPMOZFYELI-GNXQHMNLNA-N
- SMILES
- C(N1CCN(C2=NSC3C=CC=CC2=3)CC1)CCCN1C([C@@]2([H])CCCC[C@@]2([H])C1=O)=O.Cl |&1:21,27,r|
- CAS DataBase Reference
- 129273 · 129273-38-7(CAS DataBase Reference)
- FDA UNII
- 884 I76TMN · T884I76TMN
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- WGK Germany
- 1 · WGK 1
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
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 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 1
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus.
Applications
UsesSerotonin (5-HT2) and dopamine (D2) antagonist (SDA).
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…