AG003QQQ

122111-03-9 | Gemcitabine Hydrochloride

AG003QQQ

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CAS Number	122111-03-9
Catalog Number	AG003QQQ(AGN-PC-07CESZ)
Chemical Name	Gemcitabine Hydrochloride
IUPAC Name	4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
InChI	InChI=1S/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7-;/m1./s1
InChI Key	OKKDEIYWILRZIA-OSZBKLCCSA-N
MDL Number	MFCD01735988
Molecular Formula	C9H12ClF2N3O4
Molecular Weight	299.6591
SMILES	O=C1N=C(N)C=CN1[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F.[H]Cl
UNII	U347PV74IL
Synonyms	2',2'-DFDC, 2',2'-difluoro-2'-deoxycytidine, 2',2'-difluorodeoxycytidine, 2'-deoxy-2',2''-difluorocytidine-5'-O-monophosphate, 2'-deoxy-2'-difluorocytidine, dFdCyd, gemcitabine, gemcitabine hydrochloride, gemcitabine, (alpha-D-threo-pentofuranosyl)-isomer, gemcitabine, (beta-D-threo-pentafuranosyl)-isomer, gemcitabine, (D-threo-pentafuranosyl)-isomer, Gemzar, LY 188011, LY-188011, GEMCITABINE HYDROCHLORIDE, 122111-03-9, Gemcitabine HCl, Gemzar, 2'-Deoxy-2',2'-difluorocytidine monohydrochloride, LY188011 hydrochloride, Gemcitabine (Hydrochloride), UNII-U347PV74IL, Gemcitabine HCL (Gemzar), C9H11F2N3O4.HCl, Cytidine, 2'-deoxy-2',2'-difluoro-, monohydrochloride, U347PV74IL, 2',2'-Difluoro-2'-deoxycytidine hydrochloride, 2',2'-Difluorodeoxycytidine monohydrochloride, DSSTox_CID_27827, DSSTox_RID_82590, DSSTox_GSID_47849, LY-188011, 2'-deoxy-2',2'-difluorocytidine hydrochloride, 2'-Deoxy-2',2'-difluorocytidine monohydrochloride (beta-isomer), CHEBI:31647, dFdC, Dizirconium silicide, 2',2'-difluoro-2'-deoxycytidine, 2'-Deoxy-2',2'-difluorocytidine, CAS-122111-03-9, LY 188011 hydrochloride, Gemcitabine hydrochloride [USAN], NCGC00168784-01, 4-amino-1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one hydrochloride, 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride, Gemzar (TN), Gemcitabine hydrochloride [USAN:USP], AC1L1TUN, Inno-D07001, SCHEMBL4366, CHEMBL1637, 12211-03-9, MLS003915643, Gemcitabine hydrochloride,(S), DTXSID3047849, AOB6388, EBD6307, EX-A837, Gemcitabine-Hydrochloride(Gemzar), OKKDEIYWILRZIA-OSZBKLCCSA-N, 4-Amino-1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-pyrimidin-2-one hydrochloride, ACT06731, HY-B0003, Tox21_112644, AN-738, MFCD01735988, s1149, Gemcitabine hydrochloride (JAN/USAN), AKOS015999730, Tox21_112644_1, ACN-029559, CS-0755, Gemcitabine HCl (Gemzar,LY188011), SB17338, KS-000002I0, NCGC00168784-03, AS-13656, CC-28945, CPD000469146, LS-59069, SAM001246550, SC-19019, SMR000469146, Gemcitabine hydrochloride, >=98% (HPLC), AB0069148, AX8040659, ST2413104, TL8000589, FT-0626640, 2',2'-DIFLUORO-2'-DEOXYCYTIDINE HCL, Gemcitabine Hydrochloride,Gemzar, LY-188011, D01155, J10060, M-9023, 2'-deoxy-2',2'-difluorocytidine, hydrochloride, 111G039, 139306-EP2270008A1, 139306-EP2289892A1, 139306-EP2292617A1, W-60402, (+)-2'-Deoxy-2',2'-difluorocytidine hydrochloride, J-700175, Gemcitabine hydrochloride, European Pharmacopoeia (EP) Reference Standard, Gemcitabine hydrochloride, United States Pharmacopeia (USP) Reference Standard, (2'R,4'R,5'R)-4-Amino-1-(3,3-difluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyridin-2-one hydrochloride, 4-amino-1-(3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one hydrochloride, 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one hydrochloride, 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one hydrochloride, gemcitabine, SiZr2, DDFC, Si-Zr2, UNII-B76N6SBZ8R, Zirconium silicide (Zr2Si), C9H11F2N3O4.ClH, CID60749, EINECS 235-389-8, C9-H11-F2-N3-O4.Cl-H, LY188011, Gemcitabine hydrochloride, 99% - 1G 1g, A10423, 95058-81-4,

Complexity	426
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	299.048g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	299.659g/mol
Monoisotopic Mass	299.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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