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CAS No.: | 150080-09-4 |
---|---|
Name: | [(2R)-1-[(2S)-2-Amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid mesylate |
Molecular Structure: | |
Formula: | C10H23BN2O6S |
Molecular Weight: | 310.17 |
Synonyms: | [(2R)-1-[(2S)-2-Amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid mesylate |
PSA: | 149.54000 |
LogP: | 0.61560 |
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Molecule structure of Talabostat mesylate (CAS NO.150080-09-4):
IUPAC Name: [(2S)-1-[(2R)-2-Boronopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanium; methanesulfonate
Molecular Weight: 310.17542 [g/mol]
Molecular Formula: C10H23BN2O6S
H-Bond Donor: 3
H-Bond Acceptor: 6
Rotatable Bond Count: 3
Exact Mass: 310.136988
MonoIsotopic Mass: 310.136988
Topological Polar Surface Area: 146
Heavy Atom Count: 20
Canonical SMILES: B(C1CCCN1C(=O)C(C(C)C)[NH3+])(O)O.CS(=O)(=O)[O-]
Isomeric SMILES: B([C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH3+])(O)O.CS(=O)(=O)[O-]
InChI: InChI=1S/C9H19BN2O3.CH4O3S/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15;1-5(2,3)4/h6-8,14-15H,3-5,11H2,1-2H3;1H3,(H,2,3,4)/t7-,8-;/m0./s1
InChIKey: OXYYOEIGQRXGPI-WSZWBAFRSA-N
Classification Code of Talabostat mesylate (CAS NO.150080-09-4): Treatment of cancer; hematopoietic stimulant
Talabostat mesylate (CAS NO.150080-09-4) is also named as ((2R)-1-((2S)-2-amino-3-methylbutanoyl)pyrrolidin-2-yl)boronic acid methanesulfonate ; UNII-V8ZG4Y1B51 ; Val-boroPro ; Boronic acid, ((2R)-1-((2S)-2-amino-3-methyl-1-oxobutyl)-2-pyrrolidinyl)-, monomethanesulfonate .