N-Hydroxy Melagatran , CAS No.192939-72-3

Item Number
N343900
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N343900-1mg
1mg
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an intermediate in the preparation of Melagatran

Basic Description

SynonymsN-Hydroxy Melagatran | 192939-72-3 | ((R)-1-Cyclohexyl-2-((S)-2-((4-(N-hydroxycarbamimidoyl)benzyl)carbamoyl)azetidin-1-yl)-2-oxoethyl)glycine | 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]am
Storage TempStore at -20°C
Shipped InIce chest + Ice pads
Product Description

N-Hydroxy Melagatran is an N-Hydroxyguanidine prodrug and an intermediate in the preparation of Melagatran.

Associated Targets(Human)

MTARC1 Tbio Mitochondrial amidoxime-reducing component 1 (51 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Names and Identifiers

IUPAC Name 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]amino]acetic acid
INCHI InChI=1S/C22H31N5O5/c23-20(26-32)16-8-6-14(7-9-16)12-25-21(30)17-10-11-27(17)22(31)19(24-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,24,32H,1-5,10-13H2,(H2,23,26)(H,25,30)(H,28,29)/t17-,19+/m0/s1
InChi Key NIPUHXUEGZHFLD-PKOBYXMFSA-N
Canonical SMILES C1CCC(CC1)C(C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=NO)N)NCC(=O)O
Isomeric SMILES C1CCC(CC1)[C@H](C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)/C(=N/O)/N)NCC(=O)O
PubChem CID 9889723
Molecular Weight 445.51

Certificates

Certificate of Analysis(COA)

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Chemical and Physical Properties

SolubilitySoluble in DMSO
Melt Point(°C)210-212°C (lit.)

Related Documents

Solution Calculators