CAS 137977-97-0

Chemistry, 3 End Use API, 7 Related Intermediates

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Also known as: 137977-97-0, 1-(4-amino-2-methylbenzoyl)-7-chloro-3,4-dihydro-1h-benzo[b]azepin-5(2h)-one, 1-(4-amino-2-methylbenzoyl)-7-chloro-3,4-dihydro-2h-1-benzazepin-5-one, 1,2,3,4-tetrahydro-1-(4-amino-2-methylbenzoyl)-7-chloro-5h-1-benzazepin-5-one, 5h-1-benzazepin-5-one, 1-(4-amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-, Schembl1291366

Molecular Formula

C₁₈H₁₇ClN₂O₂

Molecular Weight

328.8 g/mol

InChI Key

FLJCJPKXJWRZJB-UHFFFAOYSA-N

1 2D Structure

CAS 137977-97-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-amino-2-methylbenzoyl)-7-chloro-3,4-dihydro-2H-1-benzazepin-5-one

2.1.2 InChI

InChI=1S/C18H17ClN2O2/c1-11-9-13(20)5-6-14(11)18(23)21-8-2-3-17(22)15-10-12(19)4-7-16(15)21/h4-7,9-10H,2-3,8,20H2,1H3

2.1.3 InChI Key

FLJCJPKXJWRZJB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=CC(=C1)N)C(=O)N2CCCC(=O)C3=C2C=CC(=C3)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 137977-97-0

2. 1-(4-amino-2-methylbenzoyl)-7-chloro-3,4-dihydro-1h-benzo[b]azepin-5(2h)-one

3. 1-(4-amino-2-methylbenzoyl)-7-chloro-3,4-dihydro-2h-1-benzazepin-5-one

4. 1,2,3,4-tetrahydro-1-(4-amino-2-methylbenzoyl)-7-chloro-5h-1-benzazepin-5-one

5. 5h-1-benzazepin-5-one, 1-(4-amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-

6. Schembl1291366

7. Dtxsid70599037

8. Cs-b1535

9. Mfcd19440799

10. Zinc85221465

11. Akos016005024

12. Ac-25523

13. Cs-13449

14. Db-063221

15. Am20090730

16. Ft-0696492

17. 977a970

18. 1-(4-amino-2-methylbenzoyl)-7-chloro-5-oxo-2,3,4,5-tetrahydro-1h-1-benzazepine

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₇ClN₂O₂
Molecular Weight	328.8 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	328.0978555 g/mol
Monoisotopic Mass	328.0978555 g/mol
Topological Polar Surface Area	63.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	470
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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Sigmak Lifesciences

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CAS Number

137977-97-0

End Use API

Tolvaptan

About the Company

Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutica...

Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutical APIs & Fine Chemicals. We excel in Contract Manufacturing, covering a wide spectrum of intermediates, including advance intermediates, cGMP, & non-GMP intermediates. We represent GMP and WHO-certified manufacturers of APIs & advanced intermediates, offering Distribution & Agency services with rigorous selection processes & regular audits to guarantee top-quality products. Moreover, our global Strategic Sourcing capabilities provide high-quality ingredients & performance chemicals to the Pharmaceuticals & Specialty Chemical Industries.

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1-(4-amino-2-methylbenzoyl)-7- chloro-1,2,3,4-tetrahydr...

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CAS Number

137977-97-0

End Use API

Tolvaptan

About the Company

Scinva is a startup dedicated to offering high-quality products and services, providing a comprehensive r...

Scinva is a startup dedicated to offering high-quality products and services, providing a comprehensive range of services from custom synthesis to the trade of innovative chemicals, intermediates, nutraceuticals, and excipients. Recognizing the evolving landscape of the chemical industry, Scinva focuses on the development, sourcing, and commercialization of novel products. The company aims to explore new areas and address niche markets, providing superior solutions and enhancing productivity throughout the product development cycle for its partners.

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