Trandolapril Related Compound D (25 mg) ((S)-ethyl 2-[(3S, 5aS, 9aR, 10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl]-4-phenylbutanoate)
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![Trandolapril Related Compound D (25 mg) ((S)-ethyl 2-[(3S, 5aS, 9aR, 10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl]-4-phenylbutanoate) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6d284424846d46b4bf2c200992209c4f.png "Trandolapril Related Compound D (25 mg) ((S)-ethyl 2-[(3S, 5aS, 9aR, 10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl]-4-phenylbutanoate)")
Trandolapril Related Compound D (25 mg) ((S)-ethyl 2-[(3S, 5aS, 9aR, 10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl]-4-phenylbutanoate)
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CAS No:
149881-40-3
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Formula:
C24H32N2O4
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Chemical Name:
Trandolapril Related Compound D (25 mg) ((S)-ethyl 2-[(3S, 5aS, 9aR, 10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl]-4-phenylbutanoate)
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Synonyms:
Trandolapril Related Compound D (25 mg) ((S)-ethyl 2-[(3S, 5aS, 9aR, 10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl]-4-phenylbutanoate);(αS,3S,5aS,9aR,10aS)-Decahydro-3-Methyl-1,4-dioxo-α-(2-phenylethyl)pyrazino[1,2-a]indole-2(1H)-acetic Acid Ethyl Ester;RU 46178;Trandolapril Diketopiperazine;Trandolapril EP IMpurity D;Trandolapril Related CoMpound D;(alphaS,3S,5aS,9aR,10aS)-Decahydro-3-methyl-1,4-dioxo-alpha-(2-phenylethyl)pyrazino[1,2-a]indole-2(1H)-acetic acid ethyl ester;Ethyl (2S)-2-[(3S,5aS,9aR,10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl]-4-phenylbutanoate
- Categories:
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CAS No:
Trandolapril Related Compound D (25 mg) ((S)-ethyl 2-[(3S, 5aS, 9aR, 10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl]-4-phenylbutanoate) Basic Attributes
412.52188
412.236
4768A319U6
2933997500
Safety Information
P201, P202, P260, P281, P308+P313, P314, P405, P501
H361
|Warning|H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]|P201, P202, P260, P281, P308+P313, P314, P405, and P501|Aggregated GHS information provided by 48 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Trandolapril Related Compound D (25 mg) ((S)-ethyl 2-[(3S, 5aS, 9aR, 10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl]-4-phenylbutanoate) Use and Manufacturing
Trandolapril Diketopiperazine is a metabolite of the antihypertensive Trandolapril (Ru44570) (T713500), an angiotensin-converting enzyme inhibitor.
Computed Properties
Molecular Weight:412.5
XLogP3:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:412.23620751
Monoisotopic Mass:412.23620751
Topological Polar Surface Area:66.9
Heavy Atom Count:30
Complexity:660
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Trandolapril Related Compound D (25 mg) ((S)-ethyl 2-[(3S, 5aS, 9aR, 10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl]-4-phenylbutanoate)
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