(6,11-Dihydro-5H-Dibenzo[B,E]Azepin-6-Yl)Methanamine Fumarate

Chemistry, 1 End Use API, 1 Related Intermediates

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(6,11-Dihydro-5H-Dibenzo[B,E]Azepin-6-Yl)Methanamine Fumarate

Also known as: 127785-96-0, 6-aminomethyl-6,11-dihydro-5h-dibenz[b,e]azepine (e)-2-butenedioate, (e)-but-2-enedioic acid;6,11-dihydro-5h-benzo[c][1]benzazepin-6-ylmethanamine, Schembl5367297, Schembl11256018, (6,11-dihydro-5h-dibenzo[b,e]azepin-6-yl)methanaminefumarate

Molecular Formula

C₁₉H₂₀N₂O₄

Molecular Weight

340.4 g/mol

InChI Key

IUQYGXGUFNMQGL-WLHGVMLRSA-N

1 2D Structure

(6,11-Dihydro-5H-Dibenzo[B,E]Azepin-6-Yl)Methanamine Fumarate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(E)-but-2-enedioic acid;6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethanamine

2.1.2 InChI

InChI=1S/C15H16N2.C4H4O4/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17-15;5-3(6)1-2-4(7)8/h1-8,15,17H,9-10,16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

2.1.3 InChI Key

IUQYGXGUFNMQGL-WLHGVMLRSA-N

2.1.4 Canonical SMILES

C1C2=CC=CC=C2C(NC3=CC=CC=C31)CN.C(=CC(=O)O)C(=O)O

2.1.5 Isomeric SMILES

C1C2=CC=CC=C2C(NC3=CC=CC=C31)CN.C(=C/C(=O)O)\C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 127785-96-0

2. 6-aminomethyl-6,11-dihydro-5h-dibenz[b,e]azepine (e)-2-butenedioate

3. (e)-but-2-enedioic Acid;6,11-dihydro-5h-benzo[c][1]benzazepin-6-ylmethanamine

4. Schembl5367297

5. Schembl11256018

6. (6,11-dihydro-5h-dibenzo[b,e]azepin-6-yl)methanaminefumarate

7. Bcp13637

8. Mfcd11865145

9. Akos015900707

10. 5h-dibenz[b,e]azepine-6-methanamine, 6,11-dihydro-, (2e)-2-butenedioate (1:1)

11. Bs-14927

12. Cs-0155926

13. Epinastine Hydrochloride Intermediate Product

14. 785a960

15. A857230

16. 6,11-dihydro-5h-benzo[c][1]benzazepin-6-ylmethylazanium;(e)-4-hydroxy-4-oxobut-2-enoate

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₀N₂O₄
Molecular Weight	340.4 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	340.14230712 g/mol
Monoisotopic Mass	340.14230712 g/mol
Topological Polar Surface Area	113 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	372
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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Acharya Chemicals

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CAS Number

719-59-5

End Use API

Epinastine Hydrochloride

About the Company

Established in 1975, Acharya Group is a trusted and well-established chemical manufacturing company renow...

Established in 1975, Acharya Group is a trusted and well-established chemical manufacturing company renowned for its commitment to technological excellence. Acharya’s core operations include the production, contract research and custom manufacturing of APIs, intermediates and specialty chemicals. With an annual turnover of ₹125 crores, where more than 90% is generated through global exports, Acharya Group has a proven track record of serving the European and US markets. Equipped with five independent manufacturing facilities, Acharya possesses extensive expertise in handling production across various scales, from laboratory to plant.