AG001C15

1401090-53-6 | Carbamic acid, N-[1-[2-(4-fluorophenyl)-4-thiazolyl]-1-methylethyl]-, (3S)-1-azabicyclo[2.2.2]oct-3-yl ester

AG001C15

SDS

COA

TIP This product is typically in stock.Please contact us for quotation.

Request For Quotation

• mg
• g
• kg
• ml
• L

No data

• mg
• g
• kg
• ml
• L

No data

No data

Inquire

CAS Number	1401090-53-6
Catalog Number	AG001C15(AGN-PC-0WNGUJ)
Chemical Name	Carbamic acid, N-[1-[2-(4-fluorophenyl)-4-thiazolyl]-1-methylethyl]-, (3S)-1-azabicyclo[2.2.2]oct-3-yl ester
IUPAC Name	[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]carbamate
InChI	InChI=1S/C20H24FN3O2S/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25)/t16-/m1/s1
InChI Key	YFHRCLAKZBDRHN-MRXNPFEDSA-N
MDL Number	MFCD28502073
Molecular Formula	C20H24FN3O2S
Molecular Weight	389.4869
SMILES	CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)C1=CSC(=N1)C1=CC=C(F)C=C1
UNII	BLP1XA3FZA
Synonyms	Genz-682452, GZ-SAR402671, Ibiglustat, 1401090-53-6, Venglustat, Genz-682452, UNII-BLP1XA3FZA, BLP1XA3FZA, SAR402671, GZ402671, (S)-Quinuclidin-3-yl (2-(2-(4-fluorophenyl)thiazol-4-yl)propan-2-yl)carbamate, Carbamic acid, N-(1-(2-(4-fluorophenyl)-4-thiazolyl)-1-methylethyl)-, (3S)-1-azabicyclo(2.2.2)oct-3-yl ester, Ibiglustat [INN], Carbamic acid, N-[1-[2-(4-fluorophenyl)-4-thiazolyl]-1-methylethyl]-, (3S)-1-azabicyclo[2.2.2]oct-3-yl ester, SCHEMBL12615329, GZ/SAR402671, YFHRCLAKZBDRHN-MRXNPFEDSA-N, BCP20857, EX-A1870, Ibiglustat(Genz-682452 pound(c), GZ-452, MFCD28502073, AKOS027337125, ZINC202143443, CS-6512, SB16966, (3S)-1-Azabicyclo(2.2.2)octan-3-yl N-(2-(2-(4-fluorophenyl)-1,3-thiazol-4-yl)propan-2-yl)carbamate, AS-52367, HY-16743, KS-00000648, (S)-quinuclidin-3-yl 2-(2-(4-fluorophenyl)thiazol-4-yl)propan-2-ylcarbamate, (S)-Quinuclidin-3-yl(2-(2-(4-fluorophenyl)thiazol-4-yl)propan-2-yl)carbamate, (3S)-1-azabicyclo[2.2.2]octan-3-yl N-{2-[2-(4-fluorophenyl)- 1,3-thiazol-4-yl]propan-2-yl}carbamate, (S)-quinuclidin-3-yl (2-(2-(4-fluorophenyl)thiazol-4-yl)propan-2-yl)carbamate, UNII-BLP1XA3FZA, ACN-053673,

Complexity	533
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	389.157g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	389.489g/mol
Monoisotopic Mass	389.157g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	82.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

Lot Number