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(7r)-4-(5-Chloro-1,3-Benzoxazol-2-Yl)-7-Methyl-1,4-Diazepan-1-Ium (2s,3s)-2,3-Bis(Benzoyloxy)-3-Carboxypropanoate

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(7R)-4-(5-Chloro-1,3-Benzoxazol-2-yl)-7-Methyl-1,4-Diazepan-1-ium (2S,3S)-2,3-bis(Benzoyloxy)-3-Carboxypropanoate / CAS : 1276666-14-8

Appearance - UN -
HS - DG Class -
Synonyms (R)-4-(5-Chlorobenzo[d]Oxazol-2-yl)-7-Methyl-1,4-Diazepan-1-iuM (2S,3S)-2,3-bis(Benzoyloxy)-3-Carboxypropanoate; (5R)-4-(5-Chloro-1,3-Benzoxazol-2-yl)-5-Methyl-1,4-Diazepan-1-ium (2S,3S)-2,3-bis(Benzoyloxy)Butanedioate
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Properties

Summary

Formula
C31H30ClN3O9
Molecular Mass
624.03800
Exact Mass
623.16700
PSA
168.50000
Logp
4.67000
IUPAC
5-chloro-2-[(5R)-5-methyl-1,4-diazepan-1-yl]-1,3-benzoxazole;(2S,3S)-2,3-dibenzoyloxybutanedioic acid
SMILES
C[C@@H]1CCN(CCN1)C2=NC3=C(O2)C=CC(=C3)Cl.C1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

Attribute classification

Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

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