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| CAS Number | 37762-06-4 |
| Catalog Number | AG003VDB(AGN-PC-0RENE2) |
| Chemical Name | Zaprinast |
| EC Number | 253-655-1 |
| IUPAC Name | 5-(2-propoxyphenyl)-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one |
| InChI | InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19) |
| InChI Key | REZGGXNDEMKIQB-UHFFFAOYSA-N |
| MDL Number | MFCD00214073 |
| Molecular Formula | C13H13N5O2 |
| Molecular Weight | 271.2746 |
| NSC Number | 757885 |
| SMILES | CCCOc1ccccc1c1[nH]c(=O)c2nn[nH]c2n1 |
| UNII | GXT25D5DS0 |
| Synonyms | 2-(2-propoxyphenyl)-8-azapurin-6-one,
M and B 22,948,
M and B 22948,
zaprinast,
zaprinast,
37762-06-4,
Zaprinastum [INN-Latin],
UNII-GXT25D5DS0,
M&B 22,948,
M and B 22948,
8-Aza-2-(2-propoxyphenyl)-6-purinone,
M&B 22948,
Tocris-0947,
EINECS 253-655-1,
2-o-Propoxyphenyl-8-azapurine-6-one,
2-(o-Propoxyphenyl)-8-azapurin-6-one,
GXT25D5DS0,
2-(2-Propoxyphenyl)-8-aza-6-purinone,
M&B-22948,
REZGGXNDEMKIQB-UHFFFAOYSA-N,
C13H13N5O2,
5-(2-Propoxyphenyl)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-7(4H)-one,
MFCD00214073,
NCGC00016105-03,
M&B22948,
5-(2-propoxyphenyl)-1h-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol,
CAS-37762-06-4,
3,6-Dihydro-5-(o-propoxyphenyl)-7H-v-triazolo(4,5-d)pyrimidin-7-one,
M & B 22948,
1,4-Dihydro-5-(2-propoxyphenyl)-7H-1,2,3-triazolo[4,5-d]pyrimidine-7-one,
3,6-Dihydro-5-(2-propoxyphenyl)-7H-(1,2,3)truaziki(4,5-d)pyrimidin-7-on,
DSSTox_CID_25224,
DSSTox_RID_80761,
DSSTox_GSID_45224,
Zaprinastum,
1,4-Dihydro-5-(2-propoxyphenyl)-1,2,3-triazolo(4,5-d)pyrimidin-7-one,
1,4-Dihydro-5-(2-propoxyphenyl)-7H-1,2,3-triazolo(4,5-d)pyrimidin-7-one,
1,4-Dihydro-5-[2-propoxyphenyl]-7H-1,2,3-triazolo[4,5d]pyrimidine-7-one,
3,6-dihydro-5-(2-propoxyphenyl)-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one,
7H-1,2,3-Triazolo(4,5-d)pyrimidin-7-one, 1,4-dihydro-5-(2-propoxyphenyl)-,
Zaprinast [BAN:INN],
Zaprinast [INN:BAN],
SR-01000075536,
Zaprinast, solid,
1,4-Dihydro-5-(2-propoxyphenyl)-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one,
1,4-Dihydro-5-[2-propoxyphenyl]-7H-1,2,3-triazolo[4,5-d]pyrimidine-7-one,
Prestwick_655,
2-o-Propoxyphenyl-8-azapurin-6-on,
2-(2-propoxyphenyl)-8-azapurin-6-one,
Spectrum_001265,
AC1L1KZQ,
AC1Q6AZY,
Prestwick0_000335,
Prestwick1_000335,
Prestwick2_000335,
Prestwick3_000335,
Spectrum2_001447,
Spectrum3_000933,
Spectrum4_001032,
Spectrum5_001023,
Lopac-Z-0878,
Lopac0_001240,
SCHEMBL50328,
BSPBio_000369,
BSPBio_001348,
KBioGR_001583,
KBioSS_001745,
MLS000859963,
CHEMBL28079,
DivK1c_000584,
SPECTRUM1501199,
SPBio_001313,
SPBio_002290,
Zaprinast (M&B 22948),
BPBio1_000407,
GTPL2919,
SCHEMBL6913739,
DTXSID8045224,
BCBcMAP01_000103,
BDBM14363,
CHEBI:92215,
CTK5A3076,
CTK8G3814,
HMS501N06,
KBio1_000584,
KBio2_001745,
KBio2_004313,
KBio2_006881,
KBio3_001966,
AOB5951,
NINDS_000584,
HMS1569C11,
HMS1791D10,
HMS1921P15,
HMS1989D10,
HMS2090L04,
HMS2096C11,
HMS2235N23,
HMS3263H22,
HMS3267G07,
HMS3370J04,
HMS3402D10,
HMS3675J20,
HMS3713C11,
Pharmakon1600-01501199,
Tox21_110306,
Tox21_501240,
2103AH,
6,7-Dihydro-5-(2-propoxyphenyl)-1H-triazolo(4,5-d)pyrimidin-7-on,
BS0209,
CCG-39177,
IN1012,
NSC757885,
ZINC14953365,
6,7-Dihydro-5-(2-propoxyphenyl)-1H-triazolo(4,5-d)pyrimidin-7-on [IUPAC],
AKOS024458708,
AKOS027446368,
Tox21_110306_1,
2-(2-propoxyphenyl)-8-azahypoxanthine,
API0000888,
CCG-205314,
CCG-220335,
CCG-222544,
LP01240,
NSC-757885,
ACM37762064,
IDI1_000584,
SMP1_000321,
NCGC00016105-01,
NCGC00016105-02,
NCGC00016105-04,
NCGC00016105-05,
NCGC00024894-01,
NCGC00024894-02,
NCGC00024894-03,
NCGC00024894-04,
NCGC00024894-08,
NCGC00094481-01,
NCGC00094481-02,
NCGC00261925-01,
2-(2-Propyloxyphenyl)-8-azapurin-6-one,
SMR000326822,
SBI-0051207.P002,
LS-156833,
B6516,
EU-0101240,
FT-0675894,
Z 0878,
AB00052245_02,
SR-01000597480,
SR-01000075536-1,
SR-01000075536-4,
SR-01000075536-5,
SR-01000597480-1,
BRD-K12516989-001-01-9,
BRD-K16542329-001-05-1,
BRD-K16542329-001-08-5,
5-(2-propoxyphenyl)-2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one,
5-(2-propoxyphenyl)-2,3-dihydrotriazolo[4,5-e]pyrimidin-7-one,
5-(2-propoxyphenyl)-3,6-dihydrotriazolo[4,5-d]pyrimidin-7-one,
5-(2-Propoxy-phenyl)-3,6-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one,
5-(2-propoxyphenyl)-2H,3H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one,
5-(2-propoxyphenyl)-3H,4H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one,
3-(2-propoxyphenyl)-2,4,7,8,9-pentazabicyclo[4.3.0]nona-1,3,6-trien-5-one,
55122-20-8,
D00YPW,
CID5722,
AR-1G5100,
C13-H13-N5-O2,
C011145,
5679-72-1,
|
| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.28g/mol |
| Monoisotopic Mass | 271.107g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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| Chemical Structure: | CAS Registry No: | |
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