CAS 170749-59-4

Chemistry, 2 End Use API, 4 Related Intermediates

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Also known as: 170749-59-4, 1-benzhydrylazetidin-3-yl 3-amino-3-iminopropanoate acetate, 1-benzidlilazetidin-3-yl-3-amino-3-iminopropanoate monoacetate, 1-(diphenylmethyl)azetidin-3-yl 2-carbamimidoylacetate acetate, Acetic acid;(1-benzhydrylazetidin-3-yl) 3-amino-3-iminopropanoate, Mfcd09032928

Molecular Formula

C₂₁H₂₅N₃O₄

Molecular Weight

383.4 g/mol

InChI Key

DCGRISOXIFQLPD-UHFFFAOYSA-N

1 2D Structure

CAS 170749-59-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

acetic acid;(1-benzhydrylazetidin-3-yl) 3-amino-3-iminopropanoate

2.1.2 InChI

InChI=1S/C19H21N3O2.C2H4O2/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;1-2(3)4/h1-10,16,19H,11-13H2,(H3,20,21);1H3,(H,3,4)

2.1.3 InChI Key

DCGRISOXIFQLPD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)O.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. 170749-59-4

2. 1-benzhydrylazetidin-3-yl 3-amino-3-iminopropanoate Acetate

3. 1-benzidlilazetidin-3-yl-3-amino-3-iminopropanoate Monoacetate

4. 1-(diphenylmethyl)azetidin-3-yl 2-carbamimidoylacetate Acetate

5. Acetic Acid;(1-benzhydrylazetidin-3-yl) 3-amino-3-iminopropanoate

6. Mfcd09032928

7. 116574-10-8

8. Propanoic Acid, 3-amino-3-imino-, 1-(diphenylmethyl)-3-azetidinyl Ester, Acetate (1:)

9. Schembl3326188

10. Dtxsid10670031

11. 1-benzidlilazetidin-3-yl-3-amino-3-iminopropanoatemonoacetate

12. Bcp23238

13. Akos015918376

14. Ac-4736

15. Sb11037

16. As-33900

17. Sy003252

18. Am20030138

19. Cs-0054000

20. Ft-0654535

21. 749b594

22. A811233

23. Q-103484

24. Amidinoacetic Acid (1-benzhydryl-3-azetidinyl) Ester Acetate

25. Acetic Acid--1-(diphenylmethyl)azetidin-3-yl 3-amino-3-iminopropanoate (1/1)

2.3 Create Date

2010-05-14

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₅N₃O₄
Molecular Weight	383.4 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	383.18450629 g/mol
Monoisotopic Mass	383.18450629 g/mol
Topological Polar Surface Area	117 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	449
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	2

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Kimia Biosciences

Kimia Biosciences is an integrated global pharmaceutical company adhering to high standards of quality and compliance.

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India

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CAS Number

170749-59-4

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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Nanjing Joyin Pharmachem Co, ltd

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China

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3-Amino-3-iminopropanoic acid 1-(diphenylmethyl)-3-azet...

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CAS Number

170749-59-4

End Use API

Azelnidipine

About the Company

We specialize in the supply of API and API related intermediates and services. A significant part of our ...

We specialize in the supply of API and API related intermediates and services. A significant part of our business comes from the process/production development tailored to our customers' requirement.We see our core-value in our top-of-the-rank R&D capabilities, strict quality system, fast communication with accuracy and 15years of continued dedication to pharmaceutical and chemical industries.We take pride in the long term partnership with our reputed customers, and feel truly fortunate to work with mutual and respect. We constantly strive to keep up with their ever increasing expectation, to ensure we are worthy of their trust and reliance.

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