(2-methoxy-4-prop-2-enylphenyl) 4-(diaminomethylideneamino)benzoate
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(2-methoxy-4-prop-2-enylphenyl) 4-(diaminomethylideneamino)benzoate
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CAS No:
89022-12-8
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Formula:
C18H19N3O3
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Chemical Name:
(2-methoxy-4-prop-2-enylphenyl) 4-(diaminomethylideneamino)benzoate
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Synonyms:
CHEMBL149157;89022-12-8;BRN 5610444;2'-Methoxy-4'-allylphenyl 4-guanidinobenzoate;p-Guanidinobenzoic acid 4-allyl-2-methoxyphenyl ester;SCHEMBL7318743;Benzoic acid, p-guanidino-, 4-allyl-2-methoxyphenyl ester;DTXSID201008621;(2-methoxy-4-prop-2-enylphenyl) 4-(diaminomethylideneamino)benzoate;BDBM50405345;4-((Aminoiminomethyl)amino)benzoic acid 2-methoxy-4-(2-propenyl)phenyl ester;BENZOIC ACID, 4-((AMINOIMINOMETHYL)AMINO)-, 2-METHOXY-4-(2-PROPENYL)PHENYL ESTER;2-Methoxy-4-(prop-2-en-1-yl)phenyl 4-carbamimidamidobenzoate
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CAS No:
(2-methoxy-4-prop-2-enylphenyl) 4-(diaminomethylideneamino)benzoate Basic Attributes
325.4 g/mol
325.14264148 g/mol
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Intraperitoneal | Rodent - mouse | 870 mg/kg | Details of toxic effects not reported other than lethal dose value-- | Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 29,514,1986 |
| ACUTE TOXICITY DATA | TDLo - Lowest published toxic dose | Intravaginal | Rodent - rabbit | 100 ug/kg,female 1 day(s) pre-mating | Reproductive-Fertility-female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated) | Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 32,183,1985 |
Computed Properties
Molecular Weight:325.4
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:325.14264148
Monoisotopic Mass:325.14264148
Topological Polar Surface Area:99.9
Heavy Atom Count:24
Complexity:454
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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