AG00ADUK

172015-79-1 | (1S–4R)-4-(2-amino-6-chloro-9H-purin-9-yl)-2-cyclopentene-1-methanol hydrochloride

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CAS Number	172015-79-1
Catalog Number	AG00ADUK(AGN-PC-0O4UXF)
Chemical Name	(1S–4R)-4-(2-amino-6-chloro-9H-purin-9-yl)-2-cyclopentene-1-methanol hydrochloride
EC Number	426-200-1
IUPAC Name	[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methanol;hydrochloride
InChI	InChI=1S/C11H12ClN5O.ClH/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-18;/h1-2,5-7,18H,3-4H2,(H2,13,15,16);1H/t6-,7+;/m1./s1
InChI Key	VZJFPECAPXUELG-HHQFNNIRSA-N
MDL Number	MFCD12546177
Molecular Formula	C11H13Cl2N5O
Molecular Weight	302.1598
SMILES	OC[C@@H]1C=C[C@H](N2C=NC3=C(Cl)N=C(N)N=C23)C1.[H]Cl
Synonyms	172015-79-1, (1S,4R)-4-(2-Amino-6-chloro-9H-purin-9-yl)-2-cyclopentene-1-methanol Hydrochloride, ((1S,4R)-4-(2-Amino-6-chloro-9H-purin-9-yl)cyclopent-2-en-1-yl)methanol hydrochloride, VZJFPECAPXUELG-HHQFNNIRSA-N, zlchem 793, C11H12ClN5O.ClH, SCHEMBL1575756, CTK8E2599, DTXSID70635343, ZLD0252, AKOS022173264, DS-7280, AX8281639, RT-011091, V2106, J-010787, (1S,4R)-4-(2-Amino-6-chloro-9H-purin-yl)-2-cyclopentene-1-methanol,hcl, (1S,4R)-4-(2-Amino-6-chloro-9-H-purin-9-yl)-2-cyclopentene-1-methanol Hydrochloride, (1S-4R)-4-(2-Amino-6-chloro-9H-purin-9-yl)-2-cyclopentene-1-methanol hydrochloride, (1S-cis)-4-(2-Amino-6-chloro-9H-purin-9-yl)-2-cyclopentene-1-methanol Monohydrochloride, [(1S,4R)-4-(2-Amino-6-chloro-9H-purin-9-yl)cyclopent-2-enyl]methanol Hydrochloride, [(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methanol;hydrochloride, [(1S,4R)-4-(2-Amino-6-chloro-9H-purin-9-yl)cyclopent-2-en-1-yl]methanol--hydrogen chloride (1/1), Chloropurine, CS-T-02221, EC 426-200-1, (1S-cis)-4-(2-amino-6-chloro-9H-purin-9-yl)-2-cyclopentene-1-methanol hydrochloride, [(1R,4S)-4-(2-Amino-6-chloro-9H-purin-9-yl)cyclopent-2-en-1-yl]methanol,

Complexity	341
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	301.05g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	302.159g/mol
Monoisotopic Mass	301.05g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	89.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number