Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Cardiovascular Agents  /  Herbal Extract  /  Antineoplastic Agents  /  Pharmaceutical Intermediates  /  Others
T6832287 structure
T6832287 structure

T6832287

Iupac Name:(2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CAS No.:84687-43-4
Molecular Weight:784.981
1. Names and Identifiers
1.1 Name
T6832287
1.2 Synonyms

2-fluoro-n-[1-(1h-imidazol-1-yl)propan-2-yl]benzamide AKOS009381422 MCULE-2994245871 MOLPORT-009-545-963 Z403711766

1.3 CAS No.
84687-43-4
1.4 CID
13943297
1.5 Molecular Formula
C17H18ClN3O3 (isomer)
1.6 Inchi
InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34+,37+,38-,39+,40-,41+/m0/s1
1.7 InChkey
QMNWISYXSJWHRY-YLNUDOOFSA-N
1.8 Canonical Smiles
CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C
1.9 Isomers Smiles
C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O
2. Properties
3.1 Melting point
295-296℃
3.1 Refractive index
1.62
3.1 Precise Quality
784.46100
3.1 PSA
228.22000
3.1 logP
0.72410
3. Safety and Handling
4.1 Risk Statements
S22-S24/25
4.1 Safety Statements
S22;S24/25
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
3
4. 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

2.3 Other hazards which do not result in classification

no data available

5. Computational chemical data
  • Molecular Weight:784.981g/mol
  • Molecular Formula:C17H18ClN3O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.3
  • Exact Mass:784.46090684
  • Monoisotopic Mass:784.46090684
  • Complexity:1460
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:9
  • Hydrogen Bond Acceptor Count:14
  • Topological Polar Surface Area:228
  • Heavy Atom Count:55
  • Defined Atom Stereocenter Count:21
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Question & Answer
  • Astragaloside IV is a bioactive saponin first isolated from the dried plant roots of the genus Astragalus, which is used in traditional Chinese medicine. It dose-dependently inhibits human adenovirus type 3 (HAdV-3) in A549 cells (IC50 = 23 µM; LC50 = 865 µM). It inhibits replication of...
7. Recommended Suppliers
Global270SuppliersView all >>
  • Products:chemical industry and Pharmaceutical Intermediates products
  • Tel:0086-0311-888888
  • Email:jessica@zhanyaobio.com
Astragalus Root Extract Astragaloside IV CAS NO.84687-43-4
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/metric ton
  • Time: 2022/05/27
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Astragalus Root Extract Astragaloside IV CAS NO.84687-43-4
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 150 USD/kilogram
  • Time: 2022/05/26
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Factory Supply Astragaloside IV CAS 84687-43-4
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/05
Inquire
  • Products:Chemical products, pharmaceutical intermediates, health food, fitness and muscle products research and development
  • Tel:86-00000-+8617065658228
  • Email:estella@ylbosstech.com
Factory Supply Astragaloside IV CAS 84687-43-4
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/02/24
Inquire
  • Products:Pharmaceutical, chemical technology research and development
  • Tel:086-0532-80960264
  • Email:derek@believechem.com
Astragaloside IV
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/27
Inquire