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Erlotinib-d6 HCl

CAT: 1596-AR-E01701-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E01701-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189953-78-3
Synonyms
N- (3-ethynylphenyl) -6,7-bis (2-methoxyethoxy) quinazolin-4-amine hydrochloride-D6; N- (3-Ethynylphenyl) -6,7-bis (2-methoxyethoxy-d3) -4-quinazolinamine Hydrochloride; 6,7-Bis (2-methoxyethoxy-d3) -4- (3-ethynylanilino) quinazoline Hydrochloride; [6,7-Bis (2-methoxyethoxy-d3) quinazolin-4-yl]- (3-ethynylphenyl) amine Hydrochloride; CP 358774-d3; OSI 774-d3; Tarceva-d3
Molecular Formula
C22H17N3O4D6. HCl
Molecular Weight
399.48 36.46
API Name
Erlotinib

Chemical Information

Erlotinib-d6 Hydrochloride
CAS Number1189953-78-3
PubChem CID46781490
IUPAC NameN-(3-ethynylphenyl)-6,7-bis[2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine;hydrochloride
Molecular FormulaC22H24ClN3O4
Molecular Weight435.9
Topological Polar Surface Area74.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity525
SMILES
[2H]C([2H])([2H])OCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC([2H])([2H])[2H].Cl
InChI
InChI=1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H/i2D3,3D3;
InChIKey
GTTBEUCJPZQMDZ-HVTBMTIBSA-N
Chemical Structure
2D Structure
2D structure of Erlotinib-d6 Hydrochloride
CAS: 1189953-78-3
CID: 46781490
Formula: C22H24ClN3O4
MW: 435.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass435.1831944
Monoisotopic Mass435.1831944
Topological Polar Surface Area74.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity525
Isotope Atom Count6
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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