Basic information
- CAS
1401562-15-9- Standard SMILES
CC(C)[C@H](N)C(=O)OCC(COC(=O)[C@@H](N)C(C)C)OCn1cnc2c(=O)[nH]c(N)nc21.Cl.Cl- InChIKey
OOMHWTCCIGCGMS-NJHZPMQHSA-N- Molecular formula
- C19H33Cl2N7O6
- Average molar mass
- 526.4 g/mol
- Monoisotopic mass
- 525.1869372
Names & identifiers
- Preferred name
- Ganciclovir Divalinate Impurity
- IUPAC
- [3-[(2S)-2-amino-3-methylbutanoyl]oxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]propyl] (2S)-2-amino-3-methylbutanoate;dihydrochloride
- English name
- (2S,2'S)-2-((2-amino-6-oxo-1H-purin-9(6H)-yl)methoxy)propane-1,3-diyl bis(2-amino-3-methylbutanoate)
- Molecular formula
- C19H31N7O6
- Molecular weight
- 453.49274
Names & synonyms
Ganciclovir Bisvaline Ester DiHClGanciclovir Divalinate Impurity1401562-15-92-((2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy)propane-1,3-diyl (2S,2'S)-bis(2-amino-3-methylbutanoate) dihydrochloride(2S,2'S)-2-((2-amino-6-oxo-1H-purin-9(6H)-yl)methoxy)propane-1,3-diyl bis(2-amino-3-methylbutanoate)(2RS)-3-[[(3S)-3-amino-4-methyl-2-oxopentyl]oxy]-2-[(2-amino-6- oxo-1,6-dihydro-9H-purin-9-yl)methoxy]propylL-valinate dihydrochloride
Database identifiers
- CAS
1401562-15-9- PubChem CID
- 175673272
- EC Number
- 186-789-3
Properties
Computed structural properties
- Topological polar surface area
- 199 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 686
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers6 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
常州莱诺斯化学有限公司86-519-86202821
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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