Concept information
Preferred term
3'،4' دی فلورو N /{4' فلوئورو 6 [(3S) پیرولیدین 3 یلوکسی][بی فنیل] 3 yl/} 6 [(3S) پیرولیدین 3 یلوکسی][بی فنیل] 3 کربوکسامید (2+)
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- +2
formula
- C33H32F3N3O3
inchi
- InChI=1S/C33H30F3N3O3/c34-23-5-1-20(2-6-23)28-17-24(7-10-32(28)42-26-12-14-38-19-26)39-33(40)22-4-9-31(41-25-11-13-37-18-25)27(15-22)21-3-8-29(35)30(36)16-21/h1-10,15-17,25-26,37-38H,11-14,18-19H2,(H,39,40)/p+2/t25-,26-/m0/s1
inchikey
- SWJCFZKBYJYTCH-UIOOFZCWSA-P
is_conjugate_acid_of
mass
- 575.631
monoisotopicmass
- 575.23848
smiles
- C1=CC(=CC(=C1O[C@H]2CC[NH2+]C2)C3=CC(=C(C=C3)F)F)C(=O)NC4=CC=C(C(=C4)C5=CC=C(C=C5)F)O[C@H]6CC[NH2+]C6
subset
- 3_STAR
synonym EXACT
- (3S)-3-{[3',4'-difluoro-5-({4'-fluoro-6-[(3S)-pyrrolidinium-3-yloxy][biphenyl]-3-yl}carbamoyl)[biphenyl]-2-yl]oxy}pyrrolidinium
synonym RELATED
- (3S)-3-({3',4'-difluoro-5-[(4'-fluoro-6-{[(3S)-pyrrolidin-1-ium-3-yl]oxy}[1,1'-biphenyl]-3-yl)carbamoyl][1,1'-biphenyl]-2-yl}oxy)pyrrolidin-1-ium
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:147295
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