AG0011WC

136470-78-5 | 2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, (1S,4R)-

AG0011WC

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CAS Number	136470-78-5
Catalog Number	AG0011WC(AGN-PC-07Y456)
Chemical Name	2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, (1S,4R)-
IUPAC Name	[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
InChI	InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
InChI Key	MCGSCOLBFJQGHM-SCZZXKLOSA-N
MDL Number	MFCD00903850
Molecular Formula	C14H18N6O
Molecular Weight	286.3323
SMILES	OC[C@@H]1C=C[C@H](N2C=NC3=C(NC4CC4)N=C(N)N=C23)C1
UNII	WR2TIP26VS
Synonyms	(1S,4R)-4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)-2-cyclopentene-1-methanol, 1592U89, abacavir, abacavir succinate, abacavir sulfate, Ziagen, abacavir, 136470-78-5, Ziagen, UNII-WR2TIP26VS, (1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol, Abacavir sulfate, CHEBI:421707, WR2TIP26VS, 1592U89, MFCD00903850, {(1S-cis)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol, Abacavir [INN:BAN], [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol, 2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, (1S,4R)-, Abacavir (INN), (+/-)-Abacavir, NSC742406, Ziagen (TM)(*Succinate salt*), [(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl]methanol, {(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol, 2-Cyclopentene-1-methanol, 4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)-, (1S,4R)-, NCGC00164560-01, AC1L9AXG, Epitope ID:137341, CHEMBL1380, SCHEMBL38632, MLS006010117, KS-00000XJM, 2-Cyclopentene-1-methanol, 4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)-, (1S-cis)-, MCGSCOLBFJQGHM-SCZZXKLOSA-N, ACT03218, BCP07728, ZINC2015928, BDBM50366816, AKOS024464970, AC-1299, CS-1354, DB01048, (+/-)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol, NCGC00164560-02, AK163479, BC214924, CC-23613, CJ-31308, HY-17423, SC-16996, SC-20023, SMR004701251, FT-0631153, ST24045890, 188062-50-2, C07624, D07057, EN300-258000, W-5205, AB01566826_01, 470A785, A807079, C-18039, J-700136, ((1s,4r)-4-(2-amino-6-(cyclopropylamino)-9h-purin-9-yl)cyclopent-2-enyl)methanol, (+/-)-cis-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol, [(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9-purinyl]-1-cyclopent-2-enyl]methanol, [(1s,4r)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1-cyclopent-2-enyl]methanol, [(1S,4R)-4-[2-azanyl-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol, Epzicom, Trizivir, Abacavir succinate, Abacavir [INN], Ziagen (TN), D0A4IJ, cc-126, C14H18N6O, C14-H18-N6-O, CID441300, ACN-028790, CS-O-03567, 2675B, A2694, A11115, C106538, ABC, (-)-cis-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol, (1S,4R)-4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)-2-cyclopentene-1-methanol, 2-ciclopenteno-1-metanol, 4-[2-amino-6-(ciclopropilamino)-9h-purin-9-il]-, (1s,4r)-,

Complexity	414
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	286.154g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	286.339g/mol
Monoisotopic Mass	286.154g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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