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ACTIVE PHARMA INGREDIENTS

1 NDC API, 2 VMF

1 NDC API
2 VMF

Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 193273-69-7, Capromorelin tartrate [usan], 193273-69-7 (tartrate), 4150vmf5ep, Cp-424,391-18, Capromorelin tartrate (usan)

Molecular Formula

C₃₂H₄₁N₅O₁₀

Molecular Weight

655.7 g/mol

InChI Key

MJGRJCMGMFLOET-MYPSAZMDSA-N

FDA UNII

4150VMF5EP

1 2D Structure

Capromorelin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(2R)-1-[(3aR)-3a-benzyl-2-methyl-3-oxo-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide;(2R,3R)-2,3-dihydroxybutanedioic acid

2.1.2 InChI

InChI=1S/C28H35N5O4.C4H6O6/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20;5-1(3(7)8)2(6)4(9)10/h4-13,22H,14-19,29H2,1-3H3,(H,30,35);1-2,5-6H,(H,7,8)(H,9,10)/t22-,28-;1-,2-/m11/s1

2.1.3 InChI Key

MJGRJCMGMFLOET-MYPSAZMDSA-N

2.1.4 Canonical SMILES

CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3=NN(C(=O)C3(C2)CC4=CC=CC=C4)C)N.C(C(C(=O)O)O)(C(=O)O)O

2.1.5 Isomeric SMILES

CC(C)(C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N2CCC3=NN(C(=O)[C@@]3(C2)CC4=CC=CC=C4)C)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

4150VMF5EP

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 193273-69-7

2. Capromorelin Tartrate [usan]

3. 193273-69-7 (tartrate)

4. 4150vmf5ep

5. Cp-424,391-18

6. Capromorelin Tartrate (usan)

7. 2-amino-n-((1r)-1-(((3ar)-3a-benzyl-2,3,3a,4,6,7-hexahydro-2-methyl-3-oxo-5h-pyrazolo(4,3-c)pyridin-5-yl)carbonyl)-2-(benzyloxy)ethyl)-2-methylpropionamide L-(+)-tartrate (1:1)

8. 2-amino-n-((r)-1-((r)-3a-benzyl-2-methyl-3-oxo-2,3,3a,4,6,7-hexahydro-5h-pyrazolo[4,3-c]pyridin-5-yl)-3-(benzyloxy)-1-oxopropan-2-yl)-2-methylpropanamide (2r,3r)-2,3-dihydroxysuccinate

9. Capimorelin Tartrate

10. Cp 424391-18

11. Unii-4150vmf5ep

12. Schembl3837824

13. Capromorelin Tartrate [mi]

14. N-[(2r)-1-[(3ar)-3a-benzyl-2-methyl-3-oxo-6,7-dihydro-4h-pyrazolo[4,3-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide;(2r,3r)-2,3-dihydroxybutanedioic Acid

15. Cs-6929

16. Capromorelin Tartrate, >=98% (hplc)

17. Ac-35382

18. Hy-15243

19. S0169

20. D03373

21. A934979

22. Q27258395

23. Cp 424391-18cp 424391-18

24. 2-amino-n-((r)-1-((r)-3a-benzyl-2-methyl-3-oxo-3a,4,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridin-5(3h)-yl)-3-(benzyloxy)-1-oxopropan-2-yl)-2-methylpropanamide (2r,3r)-2,3-dihydroxysuccinate

25. Propanamide, 2-amino-n-(2-(2,3,3a,4,6,7-hexahydro-2-methyl-3-oxo-3a-(phenyl-methyl)-5h-pyrazolo(4,3-c)pyridin-5-yl)oxo-1-((phenylmethoxy)methyl)ethyl)-2-methyl-,(r-(r*,r*))-, (r-(r*,r*))-2,3-dihydroxybutanedioate (1:1)

26. Propanamide, 2-amino-n-(2-(2,3,3a,4,6,7-hexahydro-2-methyl-3-oxo-3a-(phenylmethyl)-5h-pyrazolo(4,3-c)pyridin-5-yl)-2-oxo-1-((phenylmethoxy)methyl)ethyl)-2-methyl-, (r-(r*,r*))-, (r-(r*,r*))-2,3-dihydroxybutanedioate (1:1)

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₄₁N₅O₁₀
Molecular Weight	655.7 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	12
Exact Mass	655.28534252 g/mol
Monoisotopic Mass	655.28534252 g/mol
Topological Polar Surface Area	232 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1010
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2