Alectinib Hydrochloride

CAT: 0607-A4649-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-A4649-25Size:25 mg

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CAS Number

1256589-74-8

Product Name Alternative

9-ethyl-6,6-dimethyl-8-(4-morpholinopiperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile hydrochloride

Sequence

CH5424802 Hydrochloride; RO5424802 Hydrochloride; AF-802 Hydrochloride

Purity

0.9976

Solubility

≥6.89 mg/mL in DMSO with ultrasonic; insoluble in EtOH; insoluble in H2O

Smiles

CCC1=C(N2CCC(N3CCOCC3)CC2)C=C(C(C4=O)=C1)C(C)(C)C5=C4C6=C(N5)C=C(C#N)C=C6.Cl

Molecular Formula

C30H35ClN4O2

Molecular Weight

519.09

Shipping Conditions

Blue ice

Storage Conditions

Store at -20°C.

Chemical Information

Alectinib Hydrochloride

Alectinib hydrochloride is a hydrochloride obtained by combining alectinib with one molar equivalent of hydrochloric acid. Used for the treatment of patients with anaplastic lymphoma kinase-positive, metastatic non-small cell lung cancer. It has a role as an antineoplastic agent and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It contains an alectinib(1+).

CAS Number	1256589-74-8
PubChem CID	53239799
IUPAC Name	9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile;hydrochloride
Molecular Formula	C30H35ClN4O2
Molecular Weight	519.1
Topological Polar Surface Area	72.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	37
Formal Charge	0
Complexity	867

SMILES

CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C.Cl

InChI

InChI=1S/C30H34N4O2.ClH/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29;/h5-6,15-17,21,32H,4,7-14H2,1-3H3;1H

InChIKey

GYABBVHSRIHYJR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1256589-74-8

CID: 53239799

Formula: C30H35ClN4O2

MW: 519.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	519.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	518.2448541
Monoisotopic Mass	518.2448541
Topological Polar Surface Area	72.4 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	867
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS3601052-01	Alectinib hydrochloride
ENZ-CHM213-0200	Alectinib . hydrochloride
HY-13011A-01	Alectinib (Hydrochloride)
A18000-200	Alectinib Hydrochloride 200mg
A18000-50	Alectinib Hydrochloride 50mg
A18000-25	Alectinib Hydrochloride 25mg
C10827-10mg	Alectinib (CH5424802) hydrochloride
A18000-500	Alectinib Hydrochloride 500mg
A18000-10	Alectinib Hydrochloride 10mg
TRC-C183365-10MG	CH5424802 (Alectinib) Hydrochloride

Alectinib Hydrochloride

Chemical Information

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