Dasami Lab

CAS 581076-65-5

Chemistry, 1 End Use API, 36 Related Intermediates

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Also known as: 581076-65-5, N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]guanidine, Imatinib guanidine impurity, N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide, Imatinib ep impurity b, Schembl724511

Molecular Formula

C₂₁H₂₈N₆O

Molecular Weight

380.5 g/mol

InChI Key

AJNIAMJOBVYWFM-UHFFFAOYSA-N

1 2D Structure

CAS 581076-65-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

2.1.2 InChI

InChI=1S/C21H28N6O/c1-15-3-8-18(13-19(15)25-21(22)23)24-20(28)17-6-4-16(5-7-17)14-27-11-9-26(2)10-12-27/h3-8,13H,9-12,14H2,1-2H3,(H,24,28)(H4,22,23,25)

2.1.3 InChI Key

AJNIAMJOBVYWFM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)N=C(N)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 581076-65-5

2. N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]guanidine

3. Imatinib Guanidine Impurity

4. N-[3-(diaminomethylideneamino)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

5. Imatinib Ep Impurity B

6. Schembl724511

7. Dtxsid901121965

8. Zinc22060069

9. N-(3-guanidino-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide

10. N-[3-[(aminoiminomethyl)amino]-4-methylphenyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide

11. Cs-0100406

12. Ft-0669073

13. N-(3-carbamimidamido-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

14. N-(3-guanidino-4-methyl-phenyl)-4-(4-methyl-piperazin-1-ylmethyl)-benz-amide

15. N-(3-guanidino-4-methyl-phenyl)-4-(4-methyl-piperazin-1-ylmethyl)-benzamide

16. N-(3-guanidino-4-methylphenyl)-4-(methylpiperazine-1-yl-methyl)benzamide Dihydrochloride

2.3 Create Date

2009-05-28

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₈N₆O
Molecular Weight	380.5 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	380.23245954 g/mol
Monoisotopic Mass	380.23245954 g/mol
Topological Polar Surface Area	100 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	533
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	1

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CAS Number

152460-10-1

End Use API

Imatinib Mesylate

About the Company

Dasami Lab Private Limited incorporated with MCA on 24 July 2015. The Dasami Lab Private Limited is liste...

Dasami Lab Private Limited incorporated with MCA on 24 July 2015. The Dasami Lab Private Limited is listed in the class of pvtltd company and classified as Non Govt Company. This company is registered at Registrar of Companies(ROC), Hyderabad with an Authorized Share Capital of Rs. 110 CR and its paid up capital is 110 CR.

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