AG0035ZC

61413-54-5 | 4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one

AG0035ZC

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CAS Number	61413-54-5
Catalog Number	AG0035ZC(AGN-PC-07NEFN)
Chemical Name	4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one
EC Number	262-771-1
IUPAC Name	4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
InChI	InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
InChI Key	HJORMJIFDVBMOB-UHFFFAOYSA-N
MDL Number	MFCD00270906
Molecular Formula	C16H21NO3
Molecular Weight	275.3428
NSC Number	760125
SMILES	C1(CCCC1)OC=1C=C(C=CC1OC)C1CC(NC1)=O
Synonyms	Rolipram, ZK 62711, ZK-62711, ZK62711, rolipram, 61413-54-5, ZK 62711, Rolipramum, Rolipramum [Latin], 4-[3-(Cyclopentyloxy)-4-methoxyphenyl]-2-pyrrolidinone, Adeo, (+/-)-Rolipram, (R,S)-rolipram, 4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one, Rolipram [USAN:INN], ZK-62711, 4-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-pyrrolidinone, 4-(3-(cyclopentyloxy)-4-methoxyphenyl)pyrrolidin-2-one, CHEMBL63, EINECS 262-771-1, BRN 1588548, SB 95952, MLS000069691, CHEBI:104872, HJORMJIFDVBMOB-UHFFFAOYSA-N, 4-(3-Cyclopentyloxy-4-methoxyphenyl)-2-pyrrolidone, MFCD00270906, 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one, ME-3167, 2-Pyrrolidinone, 4-[3-(cyclopentyloxy)-4-methoxyphenyl]-, AK174013, SMR000058510, DSSTox_CID_24124, DSSTox_RID_80104, DSSTox_GSID_44124, 4-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrrolidin-2-one, 4-[3-(cyclopentoxy)-4-methoxy-phenyl]pyrrolidin-2-one, 2-Pyrrolidinone, 4-(3-(cyclopentyloxy)-4-methoxyphenyl)-, (4R)-4-[3-(Cyclopentyloxy)-4 Methoxyphenyl)pyrrolidin-2-one, [3H]rolipram, CPD000058510, [3H]-rolipram, SR-01000000162, (plusmn)-rolipram, NCGC00016899-01, CAS-61413-54-5, AC1L1JLC, Opera_ID_1749, Prestwick0_000924, Prestwick1_000924, Prestwick2_000924, Prestwick3_000924, UPCMLD-DP110, AC1Q6O0R, Lopac0_001072, SCHEMBL27930, BSPBio_000828, BSPBio_001356, KBioGR_000076, KBioSS_000076, Rolipram (JAN/USAN/INN), MLS000758273, MLS000759531, MLS001146912, MLS001424084, MLS006010272, SPBio_003007, BPBio1_000912, GTPL5260, GTPL5313, Pyrrolidone, 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-, DTXSID3044124, UPCMLD-DP110:001, UPCMLD-DP110:002, BDBM14361, CTK5F4996, KBio2_000076, KBio2_002644, KBio2_005212, KBio3_000151, KBio3_000152, AOB5326, Bio2_000076, Bio2_000556, HMS1361D18, HMS1570J10, HMS1791D18, HMS1989D18, HMS2051N15, HMS2090J16, HMS2097J10, HMS2232F06, HMS3263G06, HMS3267A05, HMS3369J08, HMS3393N15, HMS3402D18, HMS3654P06, HMS3655J21, HMS3675F08, HMS3714J10, Pharmakon1600-01505683, BCP21910, BCP23388, KS-000004QI, ZX-AN014777, Tox21_110672, Tox21_501072, 2028AH, 2691AH, BS0164, IN1123, NSC760125, Rolipram, solid, >=98% (HPLC), s1430, AKOS015959793, Tox21_110672_1, CCG-100965, CCG-205149, CS-1754, DB01954, INB0003603, KS-1400, LP01072, NC00215, NSC-760125, SB12922, IDI1_033826, NCGC00015898-03, NCGC00015898-04, NCGC00015898-05, NCGC00015898-06, NCGC00015898-07, NCGC00015898-08, NCGC00015898-09, NCGC00015898-11, NCGC00015898-12, NCGC00015898-15, NCGC00089796-02, NCGC00089796-04, NCGC00089796-05, NCGC00089796-06, NCGC00089796-07, NCGC00089796-08, NCGC00261757-01, AK103559, AK327373, AN-39288, BC660173, HY-16900, SAM001246766, SAM001246998, SC-47452, ZK-62771, SBI-0051042.P002, AB0109850, LS-138709, ZK 62 711, AB00513966, EU-0101072, FT-0738515, R0110, ST50405218, SW196583-4, D01783, R 6520, AB00384360-17, AB00384360_19, 4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidinone, SR-01000000162-3, SR-01000000162-4, SR-01000000162-5, SR-01000000162-9, 4-[3-Cyclopentyloxy-4-methoxyphenyl]-2-pyrrolidinone, BRD-A34255068-001-04-8, BRD-A34255068-001-26-1, SR-01000000162-12, 4-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-pyrrolidinon, 4-(3-cyclopentyloxy-4-methoxy-phenyl)pyrrolidin-2-one, 4-(3-cyclopentyloxy-4-methoxyphenyl)-pyrrolidin-2-one, 4-[4-Methoxy-3-(cyclopentyloxy)phenyl]-2-pyrrolidinone, 2-Pyrrolidinone,4-[3-(cyclopentyloxy)-4-methoxyphenyl]-, 2-Pyrrolidinone, 4-[3-(cyclopentyloxy)-4-methoxyphenyl]- (9CI), ZK 62711, SB 95952, ME-3167, Adeo, 61413-54-5, (R)-(-)-Rolipram, (S)-(+)-rolipram, S-(+)-Rolipram, (S)-ROLIPRAM, D05HPY, D0T5PO, UNII-K676NL63N7, C16H21NO3, CID5092, K676NL63N7, AR-1F9691, C16-H21-N-O3, ACN-046395, CS-O-30755, ZK62711, 85416-75-7, D020889, 85416-73-5, (R)-4-(3-(cyclopentyloxy)-4-methoxyphenyl)pyrrolidin-2-one, 91800-81-6,

Complexity	341
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.152g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	275.348g/mol
Monoisotopic Mass	275.152g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number