Daprodustat

CAT: 0127-BUP20832-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP20832-03Size:10 mg

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

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CAS Number

123250-77-1

Synonyms

GSK1278863

Purity

=95%

Smiles

C(OC(C)C1=CC=CC=C1)(=O)C=2C(C(N(=O)=O)=C(C)NC2C)C=3C=4C(SC3)=CC=NC4

Chemical Information

LY 249933

structure given in first source

CAS Number	123250-77-1
PubChem CID	129924
IUPAC Name	1-phenylethyl 2,6-dimethyl-5-nitro-4-thieno[3,2-c]pyridin-3-yl-1,4-dihydropyridine-3-carboxylate
Molecular Formula	C23H21N3O4S
Molecular Weight	435.5
XLogP	4.4
Topological Polar Surface Area	125
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	31
Formal Charge	0
Complexity	784

SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CSC3=C2C=NC=C3)C(=O)OC(C)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O4S/c1-13-20(23(27)30-15(3)16-7-5-4-6-8-16)21(22(26(28)29)14(2)25-13)18-12-31-19-9-10-24-11-17(18)19/h4-12,15,21,25H,1-3H3

InChIKey

CCKMZRZDXWDKPS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 123250-77-1

CID: 129924

Formula: C23H21N3O4S

MW: 435.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	435.5
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	435.12527733
Monoisotopic Mass	435.12527733
Topological Polar Surface Area	125 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	784
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes