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Evategrel

CAT: 0931-T201342-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T201342-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2760609-74-1
Target
Others
Related Pathways
Others
Bioactivity
Evategrel is an inhibitor of platelet aggregation.
Smiles
[C@H](C(OC)=O)(N1C\C(=C\C(O)=O)\[C@H](SCOC(OC(C)C)=O)CC1)C2=C(Cl)C=CC=C2
Molecular Formula
C21H26ClNO7S
Molecular Weight
471.95
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Evategrel

Evategrel is a small molecule drug. Evategrel has a monoisotopic molecular weight of 471.11 Da.

CAS Number2760609-74-1
PubChem CID169069119
IUPAC Name(2Z)-2-[(4R)-1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-(propan-2-yloxycarbonyloxymethylsulfanyl)piperidin-3-ylidene]acetic acid
Molecular FormulaC21H26ClNO7S
Molecular Weight472.0
XLogP1.5
Topological Polar Surface Area128
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity672
SMILES
CC(C)OC(=O)OCS[C@@H]\1CCN(C/C1=C/C(=O)O)[C@@H](C2=CC=CC=C2Cl)C(=O)OC
InChI
InChI=1S/C21H26ClNO7S/c1-13(2)30-21(27)29-12-31-17-8-9-23(11-14(17)10-18(24)25)19(20(26)28-3)15-6-4-5-7-16(15)22/h4-7,10,13,17,19H,8-9,11-12H2,1-3H3,(H,24,25)/b14-10-/t17-,19+/m1/s1
InChIKey
JIHSKBXKKCQDED-DIJKAEOVSA-N
Chemical Structure
2D Structure
2D structure of Evategrel
CAS: 2760609-74-1
CID: 169069119
Formula: C21H26ClNO7S
MW: 472.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.0
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass471.1118510
Monoisotopic Mass471.1118510
Topological Polar Surface Area128 Ų
Heavy Atom Count31
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-159839Evategrel

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