Basic information
- CAS
168398-02-5- Standard SMILES
COc1ccc(-n2cnnn2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl.Cl- InChIKey
UYDCUPIPQXAELR-OINVMNEBSA-N- Molecular formula
- C20H26Cl2N6O
- Average molar mass
- 437.4 g/mol
- Monoisotopic mass
- 436.15451481
Overview
structure given in first source
Names & identifiers
- Preferred name
- (2-Methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amine
- IUPAC
- (2S,3S)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
- English name
- GR 203040
- Molecular formula
- C20H25ClN6O
- Molecular weight
- 400.91
Names & synonyms
GR203040(2-Methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amineGR-203040N-(2-Methoxy-5-tetrazol-1-ylbenzyl)-2-phenylpiperidin-3-ylamineRefChem:68617168398-02-5GR 203040GR-203040 HCl(2S,3S)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride(2S,3S)-N-[[2-Methoxy-5-(1H-tetrazol-1-yl)phenyl]methyl]-2-phenyl-3-piperidinamine dihydrochloride168398-02-5 (HCl)CHEMBL555572
Show more names
GR 203040(LS-113867)GR203040 >=98% (HPLC)GR-203040 hydrochlorideGR 203040 HCl,GR203040 HCl(2S,3S)-N-[[2-Methoxy-5-(1H-tetrazol-1-yl)phenyl]methyl]-2-phenyl-3-piperidinamine hydrochloride (1:2)3-PiperidinaMine, N-[[2-Methoxy-5-(1H-tetrazol-1-yl)phenyl]Methyl]-2-phenyl-, (Hydrochloride) (1:2), (2S,3S)-
orb1703413SCHEMBL8529468DTXSID60937484UYDCUPIPQXAELR-OINVMNEBSA-NEX-A15413AKOS0305660803-Piperidinamine, N-((2-methoxy-5-(1H-tetrazol-1-yl)phenyl)methyl)-2-phenyl-, dihydrochloride, (2S-cis)-BG166435
Properties
Computed structural properties
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: soluble10mg/mL, clear (warmed)
- form
- powder
- color
- white to beige
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds that inhibit or block the activity of NEUROKININ-1 RECEPTORS.
Applications
UsesGR203040 is an orally active NK1 receptor antagonist with a pKi of 10.3. GR203040 shows potent antiemetic activity[1].
Suppliers10 total
Aladdin Scientific[email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
斯派螺（武汉）药物研发有限公司[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]
BOC Sciences16314854226 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
2 records
Compound notes
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