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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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1 API Suppliers
1 USDMF

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Chemistry

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Also known as: Cicloprolol hcl, 63686-79-3, Cicloprolol hydrochloride [usan], Sl 75 177-10, Cicloprolol (hydrochloride), T355yd4791

Molecular Formula

C₁₈H₃₀ClNO₄

Molecular Weight

359.9 g/mol

InChI Key

IFQJSQQPCCLGLZ-UHFFFAOYSA-N

FDA UNII

T355YD4791

1 2D Structure

Cicloprolol Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride

2.1.2 InChI

InChI=1S/C18H29NO4.ClH/c1-14(2)19-11-16(20)13-23-18-7-5-17(6-8-18)22-10-9-21-12-15-3-4-15;/h5-8,14-16,19-20H,3-4,9-13H2,1-2H3;1H

2.1.3 InChI Key

IFQJSQQPCCLGLZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)NCC(COC1=CC=C(C=C1)OCCOCC2CC2)O.Cl

2.2 Other Identifiers

2.2.1 UNII

T355YD4791

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Cicloprolol

2.3.2 Depositor-Supplied Synonyms

1. Cicloprolol Hcl

2. 63686-79-3

3. Cicloprolol Hydrochloride [usan]

4. Sl 75 177-10

5. Cicloprolol (hydrochloride)

6. T355yd4791

7. Sl-75-177-10

8. 1-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride

9. Cicloprolol Hydrochloride (usan)

10. Sl-d.177

11. Cycloprolol

12. Cicloprololhydrochlorid

13. Schembl613271

14. Chembl2105976

15. Unii-t355yd4791

16. Dtxsid20979981

17. Hy-u00066

18. Cs-6847

19. (+-)-1-(p-(2-(cyclopropylmethoxy)ethoxy)phenoxy)-3-(isopropylamino)-2-propanol Hydrochloride

20. 1-(4-(2-(cyclopropylmethoxy)ethoxy)phenoxy)-3-isopropylaminopropan-2-ol Hydrochloride

21. 2-propanol, 1-(4-(2-(cyclopropylmethoxy)ethoxy)phenoxy)-3-((1-methylethyl)amino)-, Hydrochloride, (+-)-

22. Sl-7517710

23. D03490

24. Q27289611

25. (+/-)-1-(p-(2-(cyclopropylmethoxy)ethoxy)phenoxy)-3-(isopropylamino)-2-propanol Hydrochloride

26. 1-(4-(2-(cyclopropylmethoxy)ethoxy)phenoxy)-3-(isopropylamino)-2-propanol Hydrochloride (1:1)

27. 2-propanol, 1-(4-(2-(cyclopropylmethoxy)ethoxy)phenoxy)-3-((1-methylethyl)amino)-, Hydrochloride, (+/-)-

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₃₀ClNO₄
Molecular Weight	359.9 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Exact Mass	359.1863361 g/mol
Monoisotopic Mass	359.1863361 g/mol
Topological Polar Surface Area	60 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	301
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2