AG0038O6

53910-25-1 | (8R)-3-(2-Deoxy-β-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol

AG0038O6

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CAS Number	53910-25-1
Catalog Number	AG0038O6(AGN-PC-00K46Q)
Chemical Name	(8R)-3-(2-Deoxy-β-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
IUPAC Name	(8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
InChI	InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
InChI Key	FPVKHBSQESCIEP-JQCXWYLXSA-N
MDL Number	MFCD00078802
Molecular Formula	C11H16N4O4
Molecular Weight	268.2691
SMILES	O[C@H]1C2=C(N([C@@H]3C[C@@H]([C@@H](CO)O3)O)C=N2)NC=NC1
UNII	395575MZO7
Synonyms	2' Deoxycoformycin, 2'-Deoxycoformycin, CI 825, CI-825, CI825, Co-vidarabine, Deoxycoformycin, Imidazo(4,5-d)(1,3)diazepin-8-ol, 3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydro-, (R)-, Nipent, NSC 218321, NSC-218321, NSC218321, Pentostatin, pentostatin, Deoxycoformycin, Nipent, 53910-25-1, 2'-Deoxycoformycin, Covidarabine, CO-Vidarabine, Pentostatina, Pentostatine, Pentostatinum, Vidarbine, 2'-Dexoycoformycin, 2'-DCF, Co-V, PD-ADI, UNII-395575MZO7, Vira A deaminase inhibitor, YK-176, CI-825, Coforin, PD-81565, NSC-218321, (R)-Deoxycoformycin, 395575MZO7, (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H,6H,7H,8H-imidazo[4,5-d][1,3]diazepin-8-ol, NCGC00182045-01, 8R-2'-Deoxycoformycin, (R)-2'-Deoxycoformycin, Deaminase inhibitor (PD), dCF, NSC 218321, Pentostatine [INN-French], Pentostatinum [INN-Latin], Pentostatina [INN-Spanish], (8R)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, HSDB 6547, Pentostatin [USAN:INN:BAN:JAN], BRN 1223097, PD 81565, (R)-3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo(4,5-d)(1,3)diazepin-8-ol, CL 67310465, Deaminase, inhibitor for adenosine arabinoside, Pentostatn, Pentostatin (JAN/USAN/INN), (R)-3-(2-Deoxy-.beta.-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo(4,5-d)(1,3)diazepin-8-ol, (R)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, Pentostatin (PTN), DSSTox_CID_3436, CL-67310465, AC1L97UQ, Pentostatin(Deoxycoformycin), SCHEMBL2817, CHEMBL1580, DSSTox_RID_77027, DSSTox_GSID_23436, BIDD:GT0136, GTPL4805, DTXSID2023436, BDBM22925, Pentostatin, >=95% (HPLC), FPVKHBSQESCIEP-JQCXWYLXSA-N, BDBM223291, HY-A0006, Imidazo(4,5-d)(1,3)diazepin-8-ol, 3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydro-, (R)-, ZINC3806262, Tox21_113417, MFCD00078802, AKOS024456918, AKOS032949742, API0005275, CS-0374, DB00552, PB12063, RL03997, NCGC00388420-02, (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol, Imidazo[4,5-d][1,3]diazepin-8-ol, 3-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydro-, (8R)-, AB0010579, CAS-53910-25-1, A3708, C02267, D00155, EN300-222177, Q-4464, 910P251, SR-01000883935, J-523899, SR-01000883935-1, Z2216208604, (8R)-3-(2-Deoxy-?-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H,4H,7H,8H-imidazo[4,5-d][1,3]diazepin-8-ol, (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H,7H,8H-imidazo[4,5-d][1,3]diazepin-8-ol, (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-8-ol, (R,Z)-3-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, Oncopent, Nipent (TN), 2' Deoxycoformycin, D0T3AD, NSC218321, C11H16N4O4, CI825, Pentostatin [USAN:BAN:INN:JAN], CI 825, CID439693, C11-H16-N4-O4, D015649, (8R)-3,4,7,8-Tetrahydro-3-(2-deoxy-b-D-erythro-pentofuranosyl)-imidazo[4,5-d][1,3]diazepin-8-ol, (8R)-3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]-diazepin-8-ol, Imidazo(4,5-d)(1,3)diazepin-8-ol, 3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydro-, (R)-, Imidazo(4,5-d)(1,3)diazepin-8-ol, 3-(2-deoxy-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydro-, (8R)-, Imidazo[4,5-d][1,3]diazepin-8-ol, 3-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydro-, (R)-, Imidazo[4,5-d][1,3]diazepin-8-ol, 3-(2-deoxy-b-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydro-, (8R)-,

Complexity	356
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	268.117g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	268.273g/mol
Monoisotopic Mass	268.117g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H350-H360
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P310-P321-P330-P405-P501
UN Code	UN 2811

Certificate of Analysis

Lot Number