BG00306710

Iupac Name：(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]oxy]oxane-2-carboxylic acid

CAS No.: 174264-50-7

Molecular Weight：649.71

Modify Date.: 2022-02-10 17:10

Request For Quotation

1. Names and Identifiers

1.1 Name: BG00306710
1.2 Synonyms: 2-((6-chloropyridin-2-yl)amino)-2-methylpropan-1-ol 2-[(6-chloro-2-pyridinyl)amino]-2-methyl-1-propanol 2-[(6-chloropyridin-2-yl)amino]-2-methylpropan-1-ol AJ-107807 AK-66246 AKOS012896034 CTK8A1796 TR-069843 ZINC42783977

1.3 CAS No.: 174264-50-7

1.4 CID: 10100752

1.5 Molecular Formula: C₁₇H₂₄N₂O₅S (isomer)

1.6 Inchi: InChI=1S/C34H35NO10S/c36-21-8-4-20(5-9-21)32-26(27(37)19-6-10-22(11-7-19)43-17-16-35-14-2-1-3-15-35)24-13-12-23(18-25(24)46-32)44-34-30(40)28(38)29(39)31(45-34)33(41)42/h4-13,18,28-31,34,36,38-40H,1-3,14-17H2,(H,41,42)/t28-,29-,30+,31-,34+/m0/s1

1.7 InChkey: MZPMSLSINDGEPM-WKRHDJAJSA-N

1.8 Canonical Smiles: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O)C6=CC=C(C=C6)O

1.9 Isomers Smiles: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C6=CC=C(C=C6)O

2. Properties

3.1 Melting point: 210-214°C (dec.)

3.1 Refractive index: 1.682

3.1 Precise Quality: 649.19800

3.1 PSA: 194.46000

3.1 logP: 3.57850

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available