3-(Benzyloxy)-N-carbamimidoyl-4,5-dimethoxybenzene-1-carbohydrazonic acid--sulfuric acid (2/1)
Basic information
- CAS
35607-25-1- Standard SMILES
COc1cc(C(=O)N[NH+]=C(N)N)cc(OCc2ccccc2)c1OC.COc1cc(C(=O)N[NH+]=C(N)N)cc(OCc2ccccc2)c1OC.O=S(=O)([O-])[O-]- InChIKey
JYVILXGASOVVPD-UHFFFAOYSA-N- Molecular formula
- C34H42N8O12S
- Average molar mass
- 786.8 g/mol
- Monoisotopic mass
- 786.26428998
Names & identifiers
- Preferred name
- 3-(Benzyloxy)-N-carbamimidoyl-4,5-dimethoxybenzene-1-carbohydrazonic acid--sulfuric acid (2/1)
- IUPAC
- bis(diaminomethylidene-[(3,4-dimethoxy-5-phenylmethoxybenzoyl)amino]azanium);sulfate
Names & synonyms
35607-25-1DTXSID109569833-(Benzyloxy)-N-carbamimidoyl-4,5-dimethoxybenzene-1-carbohydrazonic acid--sulfuric acid (2/1)RefChem:1067003DTXCID1013849333-Benzyloxy-4,5-dimethoxybenzoyl aminoguanidine hemisulfate3,4-Dimethoxy-5-(phenylmethoxy)benzoic acid 2-(aminoiminomethyl)hydrazide sulfate (2:1)Benzoic acid, 3,4-dimethoxy-5-(phenylmethoxy)-, 2-(aminoiminomethyl)hydrazide, sulfate (2:1)
Database identifiers
- CAS
35607-25-1- PubChem CID
- 37189
Properties
Computed structural properties
- Topological polar surface area
- 334 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 14
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 512
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Compound notes
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