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Apatinib-d8 Hydrochloride

CAT: 0931-TMID-0203-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMID-0203-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2468771-44-8
Bioactivity
Apatinib-d8 Hydrochloride is a deuterated compound of Apatinib Hydrochloride. Apatinib Hydrochloride has a CAS number of 1218779-89-5.
Smiles
C(#N)C1(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])C2=CC=C(NC(=O)C3=C(NCC=4C=CN=CC4)N=CC=C3)C=C2.Cl
Molecular Formula
C24H16D8ClN5O
Molecular Weight
441.98
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Apatinib-d8 Hydrochloride
CAS Number2468771-44-8
PubChem CID139025455
IUPAC NameN-[4-(1-cyano-2,2,3,3,4,4,5,5-octadeuteriocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
Molecular FormulaC24H24ClN5O
Molecular Weight442.0
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity608
SMILES
[2H]C1(C(C(C(C1([2H])[2H])(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)([2H])[2H])([2H])[2H])[2H].Cl
InChI
InChI=1S/C24H23N5O.ClH/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18;/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30);1H/i1D2,2D2,11D2,12D2;
InChIKey
YJFMYZMORFXPKW-DBYQDOQESA-N
Chemical Structure
2D Structure
2D structure of Apatinib-d8 Hydrochloride
CAS: 2468771-44-8
CID: 139025455
Formula: C24H24ClN5O
MW: 442.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass441.2171521
Monoisotopic Mass441.2171521
Topological Polar Surface Area90.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity608
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
HY-13342SApatinib-d8 (hydrochloride)
sc-480045AApatinib-d8 Hydrochloride
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CS-O-40397Trifluoperazine-d8 Hydrochloride
CS-O-03392Bendamustine-d8 Hydrochloride
HY-B0615AS-01Moricizine-d8 (Hydrochloride)
HY-B0193AS-01Prazosin-d8 (hydrochloride)
HY-13463BS-01Avatrombopag-d8 (hydrochloride)
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