sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Rolapitant

Rolapitant

CAS No.:
552292-08-7
Catalog Number:
AG00DBMV
Molecular Formula:
C25H26F6N2O2
Molecular Weight:
500.4766
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$187
- +
10mg
98%
1 week
United States
$265
- +
25mg
98%
1 week
United States
$390
- +
50mg
98%
1 week
United States
$612
- +
100mg
98%
1 week
United States
$890
- +
Product Description
Catalog Number:
AG00DBMV
Chemical Name:
Rolapitant
CAS Number:
552292-08-7
Molecular Formula:
C25H26F6N2O2
Molecular Weight:
500.4766
MDL Number:
MFCD23105917
IUPAC Name:
(5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one
InChI:
InChI=1S/C25H26F6N2O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34)/t16-,22-,23-/m1/s1
InChI Key:
FIVSJYGQAIEMOC-ZGNKEGEESA-N
SMILES:
O=C1CC[C@@]2(N1)CC[C@@](NC2)(CO[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccccc1
UNII:
NLE429IZUC
Properties
Complexity:
731  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
500.19g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
500.485g/mol
Monoisotopic Mass:
500.19g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
Rolapitant: first global approval. Drugs 20151101
Rolapitant (SCH 619734): a potent, selective and orally active neurokinin NK1 receptor antagonist with centrally-mediated antiemetic effects in ferrets. Pharmacology, biochemistry, and behavior 20120701
Rolapitant for the prevention of postoperative nausea and vomiting: a prospective, double-blinded, placebo-controlled randomized trial. Anesthesia and analgesia 20110401
Management of postoperative nausea and vomiting: focus on palonosetron. Therapeutics and clinical risk management 20090101
The ATPase activity of cardiac myosin from failing and hypertropied hearts. Journal of molecular and cellular cardiology 19751101
Properties