CAS 137977-97-0 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
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

CAS 137977-97-0
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 Weight 328.8 g/mol
Molecular Formula C18H17ClN2O2
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass328.0978555 g/mol
Monoisotopic Mass328.0978555 g/mol
Topological Polar Surface Area63.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty