Catalog No.:AA009X5Z

1313874-96-2 | Afatinib-d6

Name: Name:Afatinib-d6
Brand: AABLOCKS
SKU: AA009X5Z
Rating: 90 (10 reviews)

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Purity

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Price(USD)

Quantity

1mg

≥99% deuterated forms (d1-d6)

in stock

$415.00 $290.00

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Technical Information
Properties
Literature
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Technical Information

Catalog Number:

AA009X5Z

Chemical Name:

Afatinib-d6

CAS Number:

1313874-96-2

Molecular Formula:

C24H19ClD6FN5O3

Molecular Weight:

491.9754

MDL Number:

MFCD30747909

SMILES:

O=C(Nc1cc2c(ncnc2cc1O[C@@H]1COCC1)Nc1ccc(c(c1)Cl)F)/C=C/CN(C([2H])([2H])[2H])C([2H])([2H])[2H]

Properties

Computed Properties

Complexity:

702

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title: Li D, et al. BIBW2992, an irreversible EGFR/HER2 inhibitor highly effective in preclinical lung cancer models. Oncogene. 2008 Aug 7;27(34):4702-11.

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Tags:1313874-96-2 Molecular Formula|1313874-96-2 MDL|1313874-96-2 SMILES|1313874-96-2 Afatinib-d6

Catalog No.: AA009X5Z

1313874-96-2 | Afatinib-d6

Pack Size： 1mg

Purity： ≥99% deuterated forms (d1-d6)

in stock

$415.00 $290.00

Quantity

- +

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Technical Information

Catalog Number: AA009X5Z

Chemical Name: Afatinib-d6

CAS Number: 1313874-96-2

Molecular Formula: C24H19ClD6FN5O3

Molecular Weight: 491.9754

MDL Number: MFCD30747909

SMILES: O=C(Nc1cc2c(ncnc2cc1O[C@@H]1COCC1)Nc1ccc(c(c1)Cl)F)/C=C/CN(C([2H])([2H])[2H])C([2H])([2H])[2H]

Properties

Complexity: 702

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 1

Defined Bond Stereocenter Count: 1

Formal Charge: 0

Heavy Atom Count: 34

Hydrogen Bond Acceptor Count: 8

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 6

Rotatable Bond Count: 8

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.6

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