Terevalefim

CAT: 0127-BUP07450-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP07450-02Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1070881-42-3

Purity

=98%

Smiles

C(=C/c1cccs1)\c1cc[nH]n1

Chemical Information

Terevalefim

Terevalefim is under investigation in clinical trial NCT02474667 (Reduce the Severity of DGF in Recipients of a Deceased Donor Kidney).

CAS Number	1070881-42-3
PubChem CID	5714038
IUPAC Name	5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole
Molecular Formula	C9H8N2S
Molecular Weight	176.24
XLogP	2.2
Topological Polar Surface Area	56.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	170

SMILES

C1=CSC(=C1)/C=C/C2=CC=NN2

InChI

InChI=1S/C9H8N2S/c1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-7H,(H,10,11)/b4-3+

InChIKey

FOHWAQGURRYJFK-ONEGZZNKSA-N

Chemical Structure

2D Structure

CAS: 1070881-42-3

CID: 5714038

Formula: C9H8N2S

MW: 176.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.24
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	176.04081944
Monoisotopic Mass	176.04081944
Topological Polar Surface Area	56.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
C02138	Terevalefim