![N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]arbonyl]-N-2-pyridinyl-beta-alanine ethyl ester 4-methylbenzenesulfonate structure, CAS 872728-85-3](/structures/180000/176352_1_872728_85_3.png)
CAS Number872728-85-3
SynonymsExact Mass 777.315613; PSA 265.82000; LogP 4.63590; InChIKey WENRCCRZLDFCGF-UHFFFAOYSA-N; Synthetic Route; Total: 1 Page; ETHYL 3-(1-METH...; CAS#:872728-84-2; p-Toluenesulfon...; CAS#:104-15-4; ~92%; N-[[2-[[[4-(Ami...; CAS#:872728-85-3; Precursor & DownStream; Precursor 2; DownStream 1; CAS#:872728-81-9; Dabigatran etex...; Synonyms
Molecular FormulaC38H47N7O9S
Molecular Weight471.51
Purity≥95 (HPLC)%
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 872728-85-3 |
| Catalog No. | 2A-4175881 |
| Chinese Name | 达比加群酯中间体 |
| Synonyms | Exact Mass 777.315613; PSA 265.82000; LogP 4.63590; InChIKey WENRCCRZLDFCGF-UHFFFAOYSA-N; Synthetic Route; Total: 1 Page; ETHYL 3-(1-METH...; CAS#:872728-84-2; p-Toluenesulfon...; CAS#:104-15-4; ~92%; N-[[2-[[[4-(Ami...; CAS#:872728-85-3; Precursor & DownStream; Precursor 2; DownStream 1; CAS#:872728-81-9; Dabigatran etex...; Synonyms |
| Molecular Formula | C38H47N7O9S |
| Molecular Weight | 471.51 |
| Purity | ≥95 (HPLC) |
| Appearance | powder |
| MDL Number | MFCD09837830 |
| SMILES | N=C(N)C(C=C1)=CC=C1NCC(N2C)=NC3=C2C=CC(C(N(CCC(O)=O)C4=NC=CC=C4)=O)=C3 |
| InChI | 1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34) |
| InChI Key | YBSJFWOBGCMAKL-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/176352_1_872728_85_3.pdf |
| Transport Info | Product name: N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridyl-beta-alanine ethyl ester 4-methylbenzenesulfonate |
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