Basic information
- CAS
614-87-9- Standard SMILES
N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2Br)c(Br)c1.O=S(=O)(O)CCO- InChIKey
BZACJASHKPPTKX-UHFFFAOYSA-N- Molecular formula
- C19H24Br2N4O6S
- Average molar mass
- 596.3 g/mol
- Monoisotopic mass
- 593.97833
Overview
See also: Dibrompropamidine (annotation moved to).
Names & identifiers
- Preferred name
- Dibromopropamidine isethionate
- IUPAC
- 3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid
- English name
- dibrompropamidine isetionate
- Molecular formula
- C17H18Br2N4O2.2C2H6O4S
- Molecular weight
- 722.426
Names & synonyms
DIBROMOPROPAMIDINE ISETHIONATEDTXSID30210332RefChem:132911dibropropamidine isethionateDTXCID301328231,3-di(4-amidino-2-bromophenoxy)propane di-2-hydroxyethanesulfonate12Y597MO62614-87-9BroleneBrulidineNSC-33424NSC-528031
Show more names
dibrompropamidine isetionateDibrompropamidineIsethionateDIBROMOPROPAMIDINE DIISETHIONATEDibrompropamidine diisetionate CRSDibrompropamidine for system suitability CRS4-[3-(4-amidino-2-bromo-phenoxy)propoxy]-3-bromo-benzamidine3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide3-bromo-4-[3-(2-bromo-4-carbamimidoyl-phenoxy)propoxy]benzenecarboximidamide4,4'-(Propane-1,3-diylbis(oxy))bis(3-broMobenziMidaMide) bis(2-hydroxyethanesulfonate)
3,3 inverted exclamation marka-Dibromo-4,4 inverted exclamation marka-(propane-1,3-diylbisoxy)dibenzimidamidebis(2-hydroxyethanesulfonate).SCHEMBL871570CHEMBL3277938NSC33424NSC528031AKOS0329476672-Hydroxyethane-1-sulfonic acid--4,4'-[propane-1,3-diylbis(oxy)]bis(3-bromobenzene-1-carboximidamide) (1/1)
Properties
Computed structural properties
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 543
Experimental & physicochemical properties
CosmeticsAntimicrobial
Physicochemical properties
- Melting point
- 226 ° · 226°
- storage temp.
- Inert atmosphere,Room Temperature
- Major Application
- pharmaceutical (small molecule)
- Cosmetics Ingredients Functions
- ANTIMICROBIAL
- InChIKey
- BZACJASHKPPTKX-UHFFFAOYSA-N
- SMILES
- [S](=O)(=O)(O)CCO.Brc1c(ccc(c1)\C(=N\[H])\N)OCCCOc2c(cc(cc2)\C(=N\[H])\N)Br
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 12 Y597MO62 · 12Y597MO62
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
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 ClassificationNot Classified
Hazard information
Regulatory InformationChemical: Ethanesulfonic acid, 2-hydroxy-, compound with 4,4'-[1,3-propanediylbis(oxy)]bis[3-bromobenzenecarboximidamide] (2:1)
Other Safety InformationIMAP assessments - Ethanesulfonic acid, 2-hydroxy-, compound with 4,4'-[1,3-propanediylbis(oxy)]bis[3-bromobenzenecarboximidamide] (2:1): Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.
Uses & manufacturing
Use ClassificationCosmetics -> Antimicrobial
Applications
UsesPreservative in cosmetics.
Suppliers9 total
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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