AG003AO3

1218918-62-7 | (7R)-7-[[(4-Fluorophenyl)sulfonyl]methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indole-10-acetic acid

AG003AO3

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CAS Number	1218918-62-7
Catalog Number	AG003AO3(AGN-PC-0WAJLB)
Chemical Name	(7R)-7-[[(4-Fluorophenyl)sulfonyl]methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indole-10-acetic acid
IUPAC Name	2-[(7R)-7-[(4-fluorophenyl)sulfonyl-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
InChI	InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
InChI Key	JTCAGRAKUAAYDY-OAHLLOKOSA-N
MDL Number	MFCD22741619
Molecular Formula	C21H21FN2O4S
Molecular Weight	416.4658
SMILES	O=C(O)CC1=C(CC[C@@H](N(S(=O)(C4=CC=C(F)C=C4)=O)C)C3)N3C2=C1C=CC=C2
UNII	X0LHZ71TLK
Synonyms	((7R)-7-(((4-fluorophenyl)sulfonyl)(methyl)amino)-6,7,8,9-tetrahydropyrido(1,2-a)indol-10-yl)acetic acid, MK-7246, MK-7246, 1218918-62-7, UNII-X0LHZ71TLK, X0LHZ71TLK, CHEMBL561132, MK7246, (R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid, SCHEMBL2186905, BCP16217, EX-A1915, BDBM50296980, MFCD22741619, ZINC34804182, PB37255, SB20312, HY-15853, Pyrido(1,2-a)indole-10-acetic acid, 7-(((4-fluorophenyl)sulfonyl)methylamino)-6,7,8,9-tetrahydro-, (7R)-, SC-87073, CS-0009391, Q-4144, 2-[(7R)-7-(N-methyl4-fluorobenzenesulfonamido)-, 6H,7H,8H,9H-pyrido[1,2-a]indol-10-yl]acetic acid, (7R)-7-[[(4-Fluorophenyl)sulfonyl]methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indole-10-acetic acid, [(7R)-7-{[(4-fluorophenyl)sulfonyl](methyl)amino}-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic, D0I3TU, IDDBCP261213, IDDBCP271467, JTCAGRAKUAAYDY-OAHLLOKOSA-N,

Complexity	704
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	416.121g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	416.467g/mol
Monoisotopic Mass	416.121g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	88A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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