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Name
1-[2-(7-chloro-8-methoxy-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]pyrrolidinium acetate
- EINECS
- CAS No. 99999-42-5
- Density
- Solubility
- Melting Point
- Formula C17H18ClN5O3•C2H4O2
- Boiling Point
- Molecular Weight 435.91
- Flash Point
- Transport Information
- Appearance
- Safety Poison by intraperitoneal and intravenous routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
7-Chloro-8-methoxy-10-(2-pyrrolidinylethyl)isoalloxazine acetate Chemical Properties
The Molecular Structure of 7-Chloro-8-methoxy-10-(2-pyrrolidinylethyl)isoalloxazine acetate (CAS NO.99999-42-5):
Molecular Formula: C19H22ClN5O5
Molecular Weight: 435.861480 g/mol
Classification Code: Drug / Therapeutic Agent
Nominal Mass: 435 Da
Average Mass: 435.8615 Da
Monoisotopic Mass: 435.130947 Da InChI
InChI=1/C17H18ClN5O3.C2H4O2/c1-26-13-9-12-11(8-10(13)18)19-14-15(20-17(25)21-16(14)24)23(12)7-6-22-4-2-3-5-22;1-2(3)4/h8-9H,2-7H2,1H3,(H,21,24,25);1H3,(H,3,4)
Smiles
n1(c2cc(OC)c(cc2nc2c1nc(=O)[nH]c2=O)Cl)CC[NH+]1CCCC1.C(C)(=O)[O-]
The IUPAC of 7-Chloro-8-methoxy-10-(2-pyrrolidinylethyl)isoalloxazine acetate (CAS NO.99999-42-5) is 7-chloro-8-methoxy-10-(2-pyrrolidin-1-ium-1-ylethyl)benzo[g]pteridine-2,4-dione acetate .
7-Chloro-8-methoxy-10-(2-pyrrolidinylethyl)isoalloxazine acetate Toxicity Data With Reference
| 1. | ipr-rat LD50:155 mg/kg | CMTRAG Chemotherapia. 2 (1961),96. | ||
| 2. | scu-mus LD50:1000 mg/kg | CMTRAG Chemotherapia. 2 (1961),96. | ||
| 3. | ivn-mus LD50:105 mg/kg | CMTRAG Chemotherapia. 2 (1961),96. |
7-Chloro-8-methoxy-10-(2-pyrrolidinylethyl)isoalloxazine acetate Safety Profile
Poison by intraperitoneal and intravenous routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
7-Chloro-8-methoxy-10-(2-pyrrolidinylethyl)isoalloxazine acetate Specification
7-Chloro-8-methoxy-10-(2-pyrrolidinylethyl)isoalloxazine acetate (CAS NO.99999-42-5) is also called as Isoalloxazine, 7-chloro-8-methoxy-10-(2-pyrrolidinylethyl)-, acetate .
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