Basic information
- CAS
137795-35-8- Standard SMILES
O=C(O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1- InChIKey
FJCZHMXAGBYXHJ-QGZVFWFLSA-N- Molecular formula
- C21H26Cl2N2O4
- Average molar mass
- 441.3 g/mol
- Monoisotopic mass
- 440.1269627
Overview
Spiroglumide is a small molecule drug. Spiroglumide has a monoisotopic molecular weight of 440.13 Da.
Names & identifiers
- Preferred name
- Spiroglumide
- IUPAC
- (4R)-5-(8-azaspiro[4.5]decan-8-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoic acid
- English name
- Spiroglumide
- Molecular weight
- 0
Names & synonyms
Spiroglumide137795-35-8espiroglumidaEZS5V8UN4YCR-2194CR2194DTXSID601603118-Azaspiro(4.5)decane-8-pentanoic acid, gamma-((3,5-dichlorobenzoyl)amino)-delta-oxo-, (R)-spiroglumidumRefChem:184862DTXCID6082802CR 2194
Show more names
(R)-CR-2194(R)-4-(3,5-Dichlorobenzoylamino)-5-oxo-5-(8-azaspiro[4.5]decan-8-yl)valeric acid(4R)-5-{8-azaspiro[4.5]decan-8-yl}-4-[(3,5-dichlorophenyl)formamido]-5-oxopentanoic acid
4-(3-chlorobenzamido)-5-(8-azaspiro(4.5)decan-8-yl)-5-oxopentanoic acidSpiroglumide [INN](4R)-5-(8-azaspiro[4.5]decan-8-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoic acidCHEMBL283820UNII-EZS5V8UN4Yorb1745201SCHEMBL7920324FJCZHMXAGBYXHJ-QGZVFWFLSA-N
Database identifiers
- CAS
137795-35-8- PubChem CID
- 65987
- DTXSID
DTXSID60160311- ChEMBL
CHEMBL283820- UNII
- EZS5V8UN4Y
- Nikkaji
- J442.729G
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 604
Physicochemical properties
- FDA UNII
- 5 V8UN4Y · EZS5V8UN4Y
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesSpiroglumide (CR-2194) is a selective cholecystokinin B (CCKB) receptor antagonist[1].
Upstream & downstream products
Upstream raw materials
Suppliers5 total
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
1 records
Compound notes
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