trisodium 1-[5-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-methyl-3-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate (CAS 94021-10-0) — formula C28H27Cl3N9Na3O13S4, molecular weight 1001.2; category organic chemicals.
| CAS Number | 94021-10-0 |
|---|---|
| Molecular Formula | C28H27Cl3N9Na3O13S4 |
| Molecular Weight | 1001.2 |
| Category | Organic Chemicals |
trisodium 1-[5-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-methyl-3-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate is a carbon-based organic compound with CAS registry number 94021-10-0 and molecular formula C28H27Cl3N9Na3O13S4 (molecular weight 1001.2), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94021-10-0
Its molecular formula C28H27Cl3N9Na3O13S4 comprises 28 C, 27 H, 3 Cl, 9 N, 3 Na, 13 O, 4 S atoms.
Also known as: trisodium 1-[5-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-methyl-3-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate · 1-[5-[[4-[双[2-[(2-氯乙基)磺酰基]乙基]氨基]-6-氯-1,3,5-三嗪-2-基]氨基]-2-甲基-3-磺酸基苯基]-4,5-二氢-5-氧代-4-[(2-磺酸基苯基)偶氮]-1H-吡唑-3-羧酸三钠
Category: organic chemicals
The CAS registry number of trisodium 1-[5-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-methyl-3-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate is 94021-10-0.
Molecular formula C28H27Cl3N9Na3O13S4, molecular weight 1001.2.
It is also registered under: trisodium 1-[5-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-methyl-3-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate, 1-[5-[[4-[双[2-[(2-氯乙基)磺酰基]乙基]氨基]-6-氯-1,3,5-三嗪-2-基]氨基]-2-甲基-3-磺酸基苯基]-4,5-二氢-5-氧代-4-[(2-磺酸基苯基)偶氮]-1H-吡唑-3-羧酸三钠.
Category: Organic Chemicals.
Independent reference data for trisodium 1-[5-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-methyl-3-sulphonatophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate (CAS 94021-10-0), compiled from public chemistry databases.
| CAS 号 | 94021-10-0 |
|---|---|
| PubChem CID | 11971236 |
| 分子式 | C28H27Cl3N9Na3O13S4 |
| IUPAC 名称 | trisodium;1-[5-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-methyl-3-sulfonatophenyl]-5-oxo-4-[(2-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate |
| UNII（FDA） | NS00065716 |
| Molecular Weight | 1001.2 |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 16 |
| Exact Mass | 998.936983 |
| Monoisotopic Mass | 998.936983 |
| Topological Polar Surface Area | 368 |
| Heavy Atom Count | 60 |
EINECS 301-403-7; 94021-10-0; OLBBDIXXVROMAA-UHFFFAOYSA-K; DTXSID701361478; NS00065716
1-[5-[[4-[双[2-[(2-氯乙基)磺酰基]乙基]氨基]-6-氯-1,3,5-三嗪-2-基]氨基]-2-甲基-3-磺酸基苯基]-4,5-二氢-5-氧代-4-[(2-磺酸基苯基)偶氮]-1H-吡唑-3-羧酸三钠 · CAS 94021-10-0 · C28H27Cl3N9Na3O13S4. UNII NS00065716.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.