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Substance Name: 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-2-(phenylmethyl)-1-(3,4,5-trimethoxyphenyl)-, hydrochloride, hydrate (3:3:1)
RN: 79677-06-8
InChIKey: TVRBNZIOPHXBKR-UHFFFAOYSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C25-H27-N-O5.Cl-H.1/3H2-O
Molecular Weight
- 457.951
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Names and Synonyms
- 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-2-(phenylmethyl)-1-(3,4,5-trimethoxyphenyl)-, hydrochloride, hydrate (3:3:1)
Registry Numbers
CAS Registry Number
- 79677-06-8
System Generated Number
- 0079677068
Molecular Formulas
Molecular Formula
- C25-H27-N-O5.Cl-H.1/3H2-O
Molecular Formula Fragments
- C25-H27-N-O5
- Cl-H
- COMPONENT
- H2-O
Structure Descriptors
InChI
1S/C25H27NO5.ClH/c1-29-22-11-17(12-23(30-2)25(22)31-3)24-19-10-9-18(27)13-20(19)21(28)15-26(24)14-16-7-5-4-6-8-16;/h4-13,21,24,27-28H,14-15H2,1-3H3;1HInChIKey
TVRBNZIOPHXBKR-UHFFFAOYSA-NSmiles
c12[C@@H](c3cc(c(OC)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 2876mg/kg (2876mg/kg) | Pharmaceutical Chemistry Journal Vol. 18, Pg. 262, 1984. |