Basic information
- CAS
149184-22-5- Standard SMILES
C[C@H](NC[C@H](O)CP(=O)(O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1.Cl- InChIKey
ZODSPDOOCZZEIM-BBRMVZONSA-N- Molecular formula
- C18H23Cl3NO3P
- Average molar mass
- 438.7 g/mol
- Monoisotopic mass
- 437.048114
Overview
GABA-B receptor antagonist; RN refers to cpd with no isomeric designation; CGP 55845 is the (1S,2S)-isomer
Names & identifiers
- Preferred name
- Cgp 55845A
- IUPAC
- benzyl-[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid;hydrochloride
- English name
- CGP 55845
- Molecular formula
- C18H22Cl2NO3P.ClH
- Molecular weight
- 438.71
Names & synonyms
149184-22-5Cgp-55845ACGP 55845ARefChem:124803CGP 55845 hydrochlorideCGP55845 hydrochlorideCGP 55845 (hydrochloride)CGP55845 (hydrochloride)benzyl-[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid;hydrochlorideCGP 55845 HClC18H23Cl3NO3Porb1704977
Show more names
CGP 55845CGP 55845 hydrochlorCGP 55845 hydrochloride, GABAB antagonistbenzyl-[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid(2S)-3-[[(1S)-1-(3,4-DICHLOROPHENYL)ETHYL]AMINO-2-HYDROXYPROPYL](PHENYLMETHYL)PHOSPHINIC ACID(2S)-3-[[(1S)-1-(3,4-Dichlorophenyl)ethyl]amino-2-hydroxypropyl](phenylmethyl)phosphinicacidhydrochloride
SCHEMBL30529824GLXC-03125EX-A14445MFCD09266221AKOS030210933BC162622DA-72124MS-33167
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- storage temp.
- room temp
- solubility
- 5 mg/mL, · DMSO: soluble5mg/mL, clear (warmed)
- form
- powder
- color
- white to beige
- InChI
- 1S/C18H22Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h2-9,13,16,21-22H,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1
- InChIKey
- ZODSPDOOCZZEIM-BBRMVZONSA-N
- SMILES
- [P](=O)(O)(C[C@@H](O)CN[C@@H](C)c2cc(c(cc2)Cl)Cl)Cc1ccccc1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · 3
- RTECS
- 4680000 · SZ4680000
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- 3
- rtecs
- SZ4680000
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to but do not activate GABA RECEPTORS, thereby blocking the actions of endogenous GAMMA-AMINOBUTYRIC ACID and GABA RECEPTOR AGONISTS.
Applications
UsesCGP is a potent, selectie GABAB receptor antagonist.
Suppliers14 total
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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