CAS 116574-09-5

Chemistry, 1 End Use API, 5 Related Intermediates

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Also known as: 116574-09-5, (1-benzhydrylazetidin-3-yl) 3-amino-3-iminopropanoate, (1-benzhydrylazetidin-3-yl) 3-amino-3-imino-propanoate, 3-amino-3-iminopropanoic acid 1-(diphenylmethyl)-3-azetidinyl ester, 1-benzhydrylazetidin-3-yl-3-amino-3-iminopropanoate, Propanoic acid, 3-amino-3-imino,1-(diphenylmethyl)-3-azetidinyl ester

Molecular Formula

C₁₉H₂₁N₃O₂

Molecular Weight

323.4 g/mol

InChI Key

QNBUHYPZICYGBI-UHFFFAOYSA-N

1 2D Structure

CAS 116574-09-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1-benzhydrylazetidin-3-yl) 3-amino-3-iminopropanoate

2.1.2 InChI

InChI=1S/C19H21N3O2/c20-17(21)11-18(23)24-16-12-22(13-16)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H3,20,21)

2.1.3 InChI Key

QNBUHYPZICYGBI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)CC(=N)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 116574-09-5

2. (1-benzhydrylazetidin-3-yl) 3-amino-3-iminopropanoate

3. (1-benzhydrylazetidin-3-yl) 3-amino-3-imino-propanoate

4. 3-amino-3-iminopropanoic Acid 1-(diphenylmethyl)-3-azetidinyl Ester

5. 1-benzhydrylazetidin-3-yl-3-amino-3-iminopropanoate

6. Propanoic Acid, 3-amino-3-imino,1-(diphenylmethyl)-3-azetidinyl Ester

7. Propanoic Acid, 3-amino-3-imino-, 1-(diphenylmethyl)-3-azetidinyl Ester

8. 1-benzhydrylazetidin-3-yl3-amino-3-iminopropanoate

9. Schembl7271770

10. Dtxsid50438713

11. 3-amino-3-iminopropanoic Acid-1-(diphenylmethyl)-3-azetidinyl Ester

12. Sb51498

13. Cs-0183201

14. A893558

15. 1-(diphenylmethyl)azetidin-3-yl 3-amino-3-iminopropanoate

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₁N₃O₂
Molecular Weight	323.4 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	79.4
Heavy Atom Count	24
Formal Charge	0
Complexity	418
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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1-benzhydryl-3-azetidinyl amidinoacetate

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CAS Number

116574-09-5

End Use API

Azelnidipine

About the Company

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic se...

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic segments. With a strong emphasis on excellence and advanced technologies, Kimia aims to become a globally recognized company in both APIs and FDFs while upholding clean business practices. Kimia's state-of-the-art facilities at Village Bhondsi, Gurugram enable it to produce a wide range of APIs. Kimia also plans to establish its own facilities for lifestyle segments, adhering to international regulatory standards. Kimia aims to provide the best pharmaceutical products and support to consumers and healthcare professionals.

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