AG00IMI8

36703-88-5 | Inosine, compd. with 1-(dimethylamino)-2-propanol4-(acetylamino)benzoate (salt) (1:3)OTHER CA INDEX NAMES:2-Propanol, 1-(dimethylamino)-, 4-(acetylamino)benzoate (salt),compd. with inosine (3:1)Benzoic acid, 4-(acetylamino)-, compd. with1-(dimethylamino)-2-propanol and inosine (3:3:1)

AG00IMI8

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CAS Number	36703-88-5
Catalog Number	AG00IMI8(AGN-PC-0RCLHH)
Chemical Name	Inosine, compd. with 1-(dimethylamino)-2-propanol4-(acetylamino)benzoate (salt) (1:3)OTHER CA INDEX NAMES:2-Propanol, 1-(dimethylamino)-, 4-(acetylamino)benzoate (salt),compd. with inosine (3:1)Benzoic acid, 4-(acetylamino)-, compd. with1-(dimethylamino)-2-propanol and inosine (3:3:1)
EC Number	253-162-1
IUPAC Name	4-acetamidobenzoic acid;9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;1-(dimethylamino)propan-2-ol
InChI	InChI=1S/C10H12N4O5.3C9H9NO3.3C5H13NO/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18;3*1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-5(7)4-6(2)3/h2-4,6-7,10,15-17H,1H2,(H,11,12,18);3*2-5H,1H3,(H,10,11)(H,12,13);3*5,7H,4H2,1-3H3/t4-,6-,7-,10-;;;;;;/m1....../s1
InChI Key	YLDCUKJMEKGGFI-QCSRICIXSA-N
MDL Number	MFCD05662374
Molecular Formula	C52H78N10O17
Molecular Weight	1115.2325
SMILES	CC(=O)Nc1ccc(cc1)C(=O)O.CC(=O)Nc1ccc(cc1)C(=O)O.CC(=O)Nc1ccc(cc1)C(=O)O.CC(CN(C)C)O.CC(CN(C)C)O.CC(CN(C)C)O.OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]cnc2=O
UNII	W1SO0V223F
Synonyms	Imunovir, Inosine Pranobex, Inosiplex, Isoprinosin, Isoprinosine, Methisoprinol, Methysoprinol, Metisoprinol, NPT 10381, NPT-10381, NPT10381, Pranobex, Inosine, Isoprinosine, INOSINE PRANOBEX, Inosiplex, Delimmun, Imunovir, Isoviral, Aviral, Viruxan, 36703-88-5, Isoprinosin, Isoprinosina, INPX, Methisoprinol, Immunovir, UNII-W1SO0V223F, NP 113, Inosine pranobex [BAN:JAN], EINECS 253-162-1, NTP 10381, W1SO0V223F, NPT-10381, Inosine, compd. with 1-(dimethylamino)-2-propanol 4-(acetylamino)benzoate (salt) (1:3), Inosine, compound with (2-hydroxypropyl)dimethylammonium p-acetamidobenzoate (1:3), Inosine-2-hydroxypropyldimethylammonium 4-acetamidobenzoate (1:3), Methysoprinol, Metisoprinol, Isoprinosine (TN), Inosine pranobex (JAN), AC1L1XVN, CHEMBL3833327, CTK8G0391, C52H78N10O17, AKOS025312516, AKOS030228417, AS-12319, LS-84003, C10H12N4O5.C9H9NO3.C5H13NO, FT-0628301, D01995, 703I885, p-Acetamidobenzoic salt of N,N-dimethylamino-2-propanol & inosine (3:1), Inosine & 1-(dimethylamino)-2-propanol & 4-(acetylamino)benzoate (salt) (1:3:3), 4-acetamidobenzoic acid; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one; 1-(dimethylamino)propan-2-ol, Groprinosin, Imunovir (TN), D0Q2QU, Inosine Acedobene Dimepranol, CID37510, DRG-0055, ACN-038365, C10H12N4O5.3C9H9NO3.3C5H13NO, C10-H12-N4-O5.3C9-H9-N-O3.3C5-H13-N-O, Inosina, Compd. con 1-(dimetilamino)-2-propanol 4-(acetilamino) benzoato (01:03:03), Inosine compd with 1-(dimethylamino)-2-propanol 4-(acetylamino)benzoate (1:3:3), Inosine, compound with 1-(dimethylamino)-2-propanol, 4-(acetylamino)benzoate (salt) (1:3), 4-acetamidobenzoic acid; 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; 1-(dimethylamino)propan-2-ol, PS,

Complexity	658
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	7
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	1114.555g/mol
Formal Charge	0
Heavy Atom Count	79
Hydrogen Bond Acceptor Count	22
Hydrogen Bond Donor Count	13
Isotope Atom Count	0
Molecular Weight	1115.249g/mol
Monoisotopic Mass	1114.555g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	399A^2
Undefined Atom Stereocenter Count	3
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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