Basic information
- CAS
752-56-7- Standard SMILES
CCCC(=O)OC[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21)OC(=O)CCC- InChIKey
MJNIWUJSIGSWKK-BBANNHEPSA-N- Molecular formula
- C33H44N4O10
- Average molar mass
- 656.7 g/mol
- Monoisotopic mass
- 656.30574361
Overview
Riboflavin butyrate is a flavin.
Names & identifiers
- Preferred name
- Hibon
- IUPAC
- [(2R,3S,4S)-2,3,4-tri(butanoyloxy)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)pentyl] butanoate
- English name
- Riboflavine tetrabutyrate
- Molecular formula
- C33H44N4O10
- Molecular weight
- 656.72
Names & synonyms
Riboflavin tetrabutyrateHibon752-56-7Vitamin B2 tetrabutyrateriboflavin butyrateRiboflavin 2',3',4',5'-tetrabutyrateDTXSID6046892F211C9MSGYBituvitanLacflavinVirasWakaflavin l
Show more names
RiboflavinebutyrateGuaiacol Impurity 182,3,4,5-TetrabutyrateRiboflavin Tetrabutyrate >riboflavin,2’,3’,4’,5’-tetrabutyrateriboflavin,2’,3’,4’,5’-tetrabutanoate
DTXCID4026892RefChem:179374(2R,3S,4S)-1,2,4-tris(butanoyloxy)-5-(7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo(g)pteridin-10-yl)pentan-3-yl butanoate(2R,3S,4S)-5-(7,8-Dimethyl-2,4-dioxo-3,4-dihydrobenzo(g)pteridin-10(2H)-yl)pentan-1,2,3,4-tetrayl tetrabutanoate212-034-5Riboflavine tetrabutyrateRiboflavin, 2',3',4',5'-tetrabutanoateTetra-O-butyrylriboflavin
Database identifiers
- CAS
752-56-7- PubChem CID
- 92140
- DTXSID
DTXSID6046892- ChEMBL
CHEMBL1325863
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 21
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,230
Physicochemical properties
- Melting point
- 149 °C · 149 °C
- Density
- 1.25 g/cm3 · 1.250 g/cm3
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Sparingly)
- form
- Solid
- pka
- 9.83 · 9.83±0.70(Predicted)
- color
- Yellow
- Merck
- 14 · 14,8200
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- InChIKey
- MJNIWUJSIGSWKK-FSGGQHMVSA-N
- SMILES
- CC1C(C)=CC2N=C3C(=NC(=O)NC3=O)N(C[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)COC(=O)CCC)C=2C=1
- FDA UNII
- 211 C9MSGY · F211C9MSGY
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- VJ1755000
- hs_code
- 2934.99.4400
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
UsesRiboflavin Tetrabutyrate is a lipophilic flavin derivative with antioxidative and lipid peroxide-removing activity.
Suppliers44 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北大医药重庆大新药业股份有限公司[email protected]
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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