Cas no 119439-06-4 (Benzothiazolium, 3-methyl-, chloride)
119439-06-4 structure
Product Name:Benzothiazolium, 3-methyl-, chloride
CAS No:119439-06-4
MF:C10H16N5O13P3
MW:507.181024551392
CID:1211487
PubChem ID:5957
Update Time:2025-04-20
Benzothiazolium, 3-methyl-, chloride Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazolium, 3-methyl-, chloride
- 3-Methylbenzo[d]thiazol-3-iuM chloride
- 1m83
- A831137
- Ara-ATP
- 56-65-5
- EN300-1073142
- 1kxp
- CHEMBL14249
- ADENOSINE TRIPHOSPHATE [MI]
- 2fgh
- L-Carnitine-d9; Adenosine triphosphate; Adenosine 5'-triphosphate; ATP; Triphosphaden
- Atriphos
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
- D08646
- BDBM50366480
- DB00171
- adenosine-triphosphate
- 8L70Q75FXE
- 1xsc
- Adenosine 5'-(tetrahydrogen triphosphate)
- adenosine-5'-triphosphate
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- bmse000854
- ADENOSINE TRIPHOSPHATE [WHO-DD]
- DB-022415
- BRD-A31990649-304-02-3
- Adenosine, 5'-(tetrahydrogen triphosphate)
- bmse000006
- 1b39
- 1b38
- Adynol
- adenosine 5' triphosphate
- Triphosphaden
- MFCD00065467
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
- Atipi , ATP disodium salt hydrate , Triphosphoric acid adenosine ester , Ara-ATP , Triphosphaden , Adenosine triphosphate;Ara-ATP , Adenosine triphosphate
- W-105506
- adenosine-5'-triphosphoric acid
- BDBM2
- Adenosine 5'-triphosphate
- 1maw
- Adenylpyrophosphoric acid
- 9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]
- DTXCID302559
- 3h-adenosine triphosphate
- Adenosine 5'-triphosphoric acid
- EINECS 200-283-2
- Bio1_000895
- Adephos
- [[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid
- A9788C43-4BC5-46E2-8560-41C5FA7D3AA3
- AKOS022179934
- CS-7674
- ADENOSINE TRIPHOSPHATE [MART.]
- Triphosphoric acid adenosine ester
- Ado-5'-P-P-P
- Glucobasin
- 1t44
- CAS-56-65-5
- ((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
- Triadenyl
- Adetol
- GTPL1713
- Bio1_001384
- UNII-8L70Q75FXE
- 1vjd
- 1mau
- Tox21_112044
- ATP
- D70159
- 119439-06-4
- Adenosine 5'-triphosphorate
- 9-beta-D-Arabinofuranosyladenine 5'-triphosphate
- NS00074063
- Adenosine 5'-triphosphate; Triphosphaden
- 2cbz
- SCHEMBL8979
- ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
- BRD-A31990649-304-03-1
- DTXSID6022559
- Atipi
- Epitope ID:135612
- Adenosine triphosphate/ATP
- 126339-06-8
- Myotriphos
- C00002
- AC-32151
- AMY22292
- Bio1_000406
- Fosfobion
- Striadyne
- C10H16N5O13P3
- Adenosintriphosphorsaeure
- 1gz3
- 1gz4
- 1r10
- HY-B2176
- Adenosine triphosphate
- CHEBI:15422
- 1r0x
- 9H-Purin-6-amine, 9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-.beta.-D-ribofuranosyl]-
- Triphosaden
- Adenylpyrophosphorate
- H4atp
- Cardenosine
- 51963-61-2
- 1vjc
- Q80863
- [(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate;((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
- AS-19204
- ATP (nucleotide)
- Adenosine-5'-(tetrahydrogen triphosphate)
- Triphosadenine (DCF)
- ADENOSINE TRIPHOSPHATE [VANDF]
- SBI-0635025.0002
- adenylpyrophosphate
- s5260
- NCGC00163309-01
- 5'-Atp
- 1yid
- 5'-(tetrahydrogen triphosphate) Adenosine
- bmse000993
- 1ST1534D9
- 1y8p
- -beta-D-ribofuranosyl]-
- Phosphobion
-
- Inchi: 1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
- InChI Key: ZKHQWZAMYRWXGA-KQYNXXCUSA-N
- SMILES: P(=O)(O)(OP(=O)(O)OP(=O)(O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O
Computed Properties
- Exact Mass: 506.99574658g/mol
- Monoisotopic Mass: 506.99574658g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 31
- Rotatable Bond Count: 8
- Complexity: 800
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -5.7
- Topological Polar Surface Area: 279?2
Benzothiazolium, 3-methyl-, chloride Related Literature
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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