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Tenapanor

CAS No.:
1234423-95-0
Catalog Number:
AG00A0GG
Molecular Formula:
C50H66Cl4N8O10S2
Molecular Weight:
1145.0486
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
99%
1 week
United States
$223
- +
5mg
99%
1 week
United States
$373
- +
10mg
99%
1 week
United States
$473
- +
25mg
99%
1 week
United States
$807
- +
50mg
99%
1 week
United States
$1307
- +
100mg
99%
1 week
United States
$2123
- +
Product Description
Catalog Number:
AG00A0GG
Chemical Name:
Tenapanor
CAS Number:
1234423-95-0
Molecular Formula:
C50H66Cl4N8O10S2
Molecular Weight:
1145.0486
MDL Number:
MFCD28386333
IUPAC Name:
1-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-3-[4-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethylcarbamoylamino]butyl]urea
InChI:
InChI=1S/C50H66Cl4N8O10S2/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-7-5-9-39(25-35)73(65,66)59-15-19-71-23-21-69-17-13-57-49(63)55-11-3-4-12-56-50(64)58-14-18-70-22-24-72-20-16-60-74(67,68)40-10-6-8-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54/h5-10,25-30,43-44,59-60H,3-4,11-24,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64)/t43-,44-/m0/s1
InChI Key:
DNHPDWGIXIMXSA-CXNSMIOJSA-N
SMILES:
O=C(NCCOCCOCCNS(=O)(=O)c1cccc(c1)[C@@H]1CN(C)Cc2c1cc(Cl)cc2Cl)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1cccc(c1)[C@@H]1CN(C)Cc2c1cc(Cl)cc2Cl
UNII:
WYD79216A6
Properties
Complexity:
1770  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
1144.307g/mol
Formal Charge:
0
Heavy Atom Count:
74  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
1145.044g/mol
Monoisotopic Mass:
1142.31g/mol
Rotatable Bond Count:
29  
Topological Polar Surface Area:
235A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Literature
Title Journal
Current and emerging treatments for irritable bowel syndrome with constipation and chronic idiopathic constipation: focus on prosecretory agents. Pharmacotherapy 20150601
Tenapanor hydrochloride for the treatment of constipation-predominant irritable bowel syndrome. Expert opinion on investigational drugs 20150101
Intestinal inhibition of the Na+/H+ exchanger 3 prevents cardiorenal damage in rats and inhibits Na+ uptake in humans. Science translational medicine 20140312
Acid protease activity during germination of microcysts of the cellular slime mold Polysphondylium pallidum. Journal of bacteriology 19760101
Properties