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KDI-792 hydrochloride

CAT: 0931-T71027-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T71027-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
130047-30-2
Target
Others
Related Pathways
Others
Bioactivity
KDI-792 hydrochloride is a thromboxane dual blocker.
Smiles
Cl.OC(=O)CCC\C=C/[C@@H]1C[C@H](CN1Cc1cccnc1)NS(=O)(=O)c1ccc(Cl)cc1
Molecular Formula
C22H27Cl2N3O4S
Molecular Weight
500.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Kdi 792
CAS Number130047-30-2
PubChem CID6442424
IUPAC Name(Z)-6-[(2S,4R)-4-[(4-chlorophenyl)sulfonylamino]-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]hex-5-enoic acid;hydrochloride
Molecular FormulaC22H27Cl2N3O4S
Molecular Weight500.4
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity704
SMILES
C1[C@H](CN([C@@H]1/C=C\CCCC(=O)O)CC2=CN=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl.Cl
InChI
InChI=1S/C22H26ClN3O4S.ClH/c23-18-8-10-21(11-9-18)31(29,30)25-19-13-20(6-2-1-3-7-22(27)28)26(16-19)15-17-5-4-12-24-14-17;/h2,4-6,8-12,14,19-20,25H,1,3,7,13,15-16H2,(H,27,28);1H/b6-2-;/t19-,20-;/m1./s1
InChIKey
JGCFJVFIRFTRKJ-YOLZMAEBSA-N
Chemical Structure
2D Structure
2D structure of Kdi 792
CAS: 130047-30-2
CID: 6442424
Formula: C22H27Cl2N3O4S
MW: 500.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass499.1099329
Monoisotopic Mass499.1099329
Topological Polar Surface Area108 Ų
Heavy Atom Count32
Formal Charge0
Complexity704
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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MBS5813568KDI-792 hydrochloride
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BLA0KDI000DRP0TRAYKDI Drip Tray ASM
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BM171106-01ML 792
MBS3841811-01ML-792
ABC-TC0170COLO-792
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