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940002-59-5
SITAGLIPTIN CARBAMOYL GLUCURONIDE
Name
SITAGLIPTIN CARBAMOYL GLUCURONIDE
Formula
C23 H23 F6 N5 O9
MolWeight
627.449
1Identification
【Name】
SITAGLIPTIN CARBAMOYL GLUCURONIDE
【CAS】
【MDL】
MFCD11977927
【English Synonyms】
【Formula】
C23 H23 F6 N5 O9
【MolWeight】
627.449
【Inchi】
InChI=1S/C23H23F6N5O9/c24-10-6-12(26)11(25)4-8(10)3-9(30-22(41)43-20-17(38)15(36)16(37)18(42-20)19(39)40)5-14(35)33-1-2-34-13(7-33)31-32-21(34)23(27,28)29/h4,6,9,15-18,20,36-38H,1-3,5,7H2,(H,30,41)(H,39,40)/t9-,15+,16+,17-,18+,20+/m1/s1
【InChIKey】
InChIKey=GKDZQUQEXZXGMZ-KUVPMCASSA-N
【SMILES】
c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)NC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:14
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
SITAGLIPTIN CARBAMOYL GLUCURONIDE.cml
Quick Release
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Catalog No:Q-4029 nullnull
Country/Region:United States
Business Type:Others
http://www.glsyntech.com
CGeneTech, Inc.
Catalog No:90508 10MG
Country/Region:United States
Business Type:Others
http://www.cgenetech.com
Anichem Inc.
Catalog No:CT3966 1KG
Catalog No:CT3966 25G
Catalog No:CT3966 1G
Catalog No:CT3966 5G
Country/Region:United States
Business Type:Others
http://www.anichemllc.com
Tractus Company Limited
Catalog No:RT-015710 nullnull
Country/Region:Hong Kong
Business Type:Trading Company
http://www.tractuschem.com
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