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Ribuvaptan

CAT: 0931-T34325-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34325-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1245620-47-6
Target
Others
Related Pathways
Others
Bioactivity
Ribuvaptan is a antagonist of vasopressin receptor .
Smiles
C([C@@H](C(F)(F)F)O)N1C(=NN(CC(N[C@@H](COC(N)=O)C2=CC(C(F)(F)F)=CC=C2)=O)C1=O)C3=CC=C(Cl)C=C3
Molecular Formula
C23H20ClF6N5O5
Molecular Weight
595.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ribuvaptan

Ribuvaptan is a small molecule drug. The usage of the INN stem '-vaptan' in the name indicates that Ribuvaptan is a vasopressin receptor antagonist. Ribuvaptan has a monoisotopic molecular weight of 595.11 Da.

CAS Number1245620-47-6
PubChem CID72725085
IUPAC Name[(2R)-2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]-2-[3-(trifluoromethyl)phenyl]ethyl] carbamate
Molecular FormulaC23H20ClF6N5O5
Molecular Weight595.9
XLogP3.4
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count40
Formal Charge0
Complexity959
SMILES
C1=CC(=CC(=C1)C(F)(F)F)[C@H](COC(=O)N)NC(=O)CN2C(=O)N(C(=N2)C3=CC=C(C=C3)Cl)C[C@@H](C(F)(F)F)O
InChI
InChI=1S/C23H20ClF6N5O5/c24-15-6-4-12(5-7-15)19-33-35(21(39)34(19)9-17(36)23(28,29)30)10-18(37)32-16(11-40-20(31)38)13-2-1-3-14(8-13)22(25,26)27/h1-8,16-17,36H,9-11H2,(H2,31,38)(H,32,37)/t16-,17-/m0/s1
InChIKey
JYRCFPAYSZZCBP-IRXDYDNUSA-N
Chemical Structure
2D Structure
2D structure of Ribuvaptan
CAS: 1245620-47-6
CID: 72725085
Formula: C23H20ClF6N5O5
MW: 595.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight595.9
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass595.1057154
Monoisotopic Mass595.1057154
Topological Polar Surface Area138 Ų
Heavy Atom Count40
Formal Charge0
Complexity959
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-16783Ribuvaptan

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