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SR 49059

CAT: 0607-B7013-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-B7013-5Size:5 mg
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Description
vasopressin V1A receptor antagonist
CAS Number
150375-75-0
Product Name Alternative
(S)-1-((2R,3S)-5-chloro-3-(2-chlorophenyl)-1-((3,4-dimethoxyphenyl)sulfonyl)-3-hydroxyindoline-2-carbonyl)pyrrolidine-2-carboxamide
Field of Research
GPCR G protein Vasopressin Receptor
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
ClC1=CC=CC=C1[C@]([C@H](C(N2[C@H](C(N)=O)CCC2)=O)N3S(=O)(C(C=C4OC)=CC=C4OC)=O)(C5=C3C=CC(Cl)=C5)O
Molecular Formula
C28H27Cl2N3O7S
Molecular Weight
620.5
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Relcovaptan

(2S)-1-[[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2H-indol-2-yl]-oxomethyl]-2-pyrrolidinecarboxamide is a proline derivative.

CAS Number150375-75-0
PubChem CID60943
IUPAC Name(2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2H-indole-2-carbonyl]pyrrolidine-2-carboxamide
Molecular FormulaC28H27Cl2N3O7S
Molecular Weight620.5
XLogP3.8
Topological Polar Surface Area148
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity1090
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N2[C@H]([C@](C3=C2C=CC(=C3)Cl)(C4=CC=CC=C4Cl)O)C(=O)N5CCC[C@H]5C(=O)N)OC
InChI
InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1
InChIKey
CEBYCSRFKCEUSW-NAYZPBBASA-N
Chemical Structure
2D Structure
2D structure of Relcovaptan
CAS: 150375-75-0
CID: 60943
Formula: C28H27Cl2N3O7S
MW: 620.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight620.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass619.0946768
Monoisotopic Mass619.0946768
Topological Polar Surface Area148 Ų
Heavy Atom Count41
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5757856SR 49059
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