1H-Pyrazole-3-carboxylic acid, 1-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-3-sulfophenyl]-4,5-dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, 3-methyl ester, sodium salt (CAS 94157-78-5) — formula C33H23N6Na3O17S4, molecular weight 972.8; category organic chemicals.
| CAS Number | 94157-78-5 |
|---|---|
| Molecular Formula | C33H23N6Na3O17S4 |
| Molecular Weight | 972.8 |
| Applications | General Manufacturing Information: 1H-Pyrazole-3-carboxylic acid, 1-[4-[(4-amino-9, 10-dihydro-9, 10-dioxo-3-sulfo-1-anthracenyl)amino]-3-sulfophenyl]-4, 5-dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, 3-methyl ester, sodium salt (1:?): INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: 1H-Pyrazole-3-carboxylic acid, 1-[4-[(4-amino-9, 10-dihydro-9, 10-dioxo-3-sulfo-1-anthracenyl)amino]-3-sulfophenyl]-4, 5-dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, 3-methyl ester, sodium salt (1:?): INACTIVE.
1H-Pyrazole-3-carboxylic acid, 1-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-3-sulfophenyl]-4,5-dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, 3-methyl ester, sodium salt is a carbon-based organic compound with CAS registry number 94157-78-5 and molecular formula C33H23N6Na3O17S4 (molecular weight 972.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94157-78-5
Its molecular formula C33H23N6Na3O17S4 comprises 33 C, 23 H, 6 N, 3 Na, 17 O, 4 S atoms.
Also known as: 1H-Pyrazole-3-carboxylic acid, 1-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-3-sulfophenyl]-4,5-dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, 3-methyl ester, sodium salt · 1H-吡唑-3-羧酸，1-[4-[(4-氨基-9,10-二氢-9,10-二氧代-3-磺基-1-蒽基)氨基]-3-磺基苯基]-4,5-二氢-5-氧代-4-[[4-[[2-(磺氧基)乙基]磺酰基]苯基]偶氮]-，3-甲酯，钠盐
Category: organic chemicals
The CAS registry number of 1H-Pyrazole-3-carboxylic acid, 1-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-3-sulfophenyl]-4,5-dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, 3-methyl ester, sodium salt is 94157-78-5.
Molecular formula C33H23N6Na3O17S4, molecular weight 972.8.
It is also registered under: 1H-Pyrazole-3-carboxylic acid, 1-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-3-sulfophenyl]-4,5-dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, 3-methyl ester, sodium salt, 1H-吡唑-3-羧酸，1-[4-[(4-氨基-9,10-二氢-9,10-二氧代-3-磺基-1-蒽基)氨基]-3-磺基苯基]-4,5-二氢-5-氧代-4-[[4-[[2-(磺氧基)乙基]磺酰基]苯基]偶氮]-，3-甲酯，钠盐.
Recorded applications: General Manufacturing Information: 1H-Pyrazole-3-carboxylic acid, 1-[4-[(4-amino-9, 10-dihydro-9, 10-dioxo-3-sulfo-1-anthracenyl)amino]-3-sulfophenyl]-4, 5-dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, 3-methyl ester, sodium salt (1:?): INACTIVE.
Category: Organic Chemicals.
Independent reference data for 1H-Pyrazole-3-carboxylic acid, 1-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-3-sulfophenyl]-4,5-dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, 3-methyl ester, sodium salt (CAS 94157-78-5), compiled from public chemistry databases.
| CAS 号 | 94157-78-5 |
|---|---|
| PubChem CID | 5489375 |
| 分子式 | C33H23N6Na3O17S4 |
| IUPAC 名称 | trisodium;1-amino-4-[4-[3-methoxycarbonyl-5-oxo-4-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-4H-pyrazol-1-yl]-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate |
| UNII（FDA） | NS00120629 |
| Molecular Weight | 972.8 |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 11 |
| Exact Mass | 971.96956083 |
| Monoisotopic Mass | 971.96956083 |
| Topological Polar Surface Area | 404 |
| Heavy Atom Count | 63 |
94157-78-5; EINECS 303-045-7; CAYSUASNOLUUNY-UHFFFAOYSA-K; NS00120629
1H-吡唑-3-羧酸，1-[4-[(4-氨基-9,10-二氢-9,10-二氧代-3-磺基-1-蒽基)氨基]-3-磺基苯基]-4,5-二氢-5-氧代-4-[[4-[[2-(磺氧基)乙基]磺酰基]苯基]偶氮]-，3-甲酯，钠盐 · CAS 94157-78-5 · C33H23N6Na3O17S4. UNII NS00120629.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.