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Basic information
- CAS
99-18-3- Standard SMILES
N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1- InChIKey
ZKSZEJFBGODIJW-GMDXDWKASA-N- Molecular formula
- C14H17NO6
- Average molar mass
- 295.291 g/mol
- Monoisotopic mass
- 295.10558726
Names & identifiers
- Preferred name
- Prunasin
- IUPAC
- (2R)-(beta-D-Glucopyranosyloxy)(phenyl)acetonitrile
- English name
- PRUNASIN
- Molecular formula
- C14H17NO6
- Molecular weight
- 295.29
Names & synonyms
(r)-prunasinPrunacinPRUNASINd-prunasinNoguro SakuraWild cherry glycoside(r)-benzeneacetonitrilPrunasin (6CI, 7CI, 8CI)D-MANDELONITRILE B-D-GLUCOSIDED-Mandelonitrile β-D-glucoside
Database identifiers
- CAS
99-18-3- PubChem CID
- 119033
- DTXSID
DTXSID001018995- ChEMBL
CHEMBL1778417- ChEBI
CHEBI:17396- UNII
- 14W4BPM5FB
- EC Number
- 202-738-0
- Nikkaji
- J113.483C
Properties
Physicochemical properties
- Melting point
- 138 · 138-148°C
- Boiling point
- 527 · 527.0±50.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 12.71 · 12.71±0.70(Predicted)
- color
- White to off-white
- Stability
- Hygroscopic
- Major Application
- metabolomicsvitamins, nutraceuticals, and natural products
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- InChI
- InChI=1/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/s3
- InChIKey
- ZKSZEJFBGODIJW-OAWZEMCWNA-N
- SMILES
- O([C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)[C@H](C1C=CC=CC=1)C#N |&1:1,2,3,5,7,12,r|
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 14 W4BPM5FB · 14W4BPM5FB
- UNSPSC Code
- 12352205 · 12352205
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301-H360
- Precautionary statements
- 201 · P201-P301+P310+P330
- Hazard Codes
- T
- Risk Statements
- 36 · 36/37/38-25-60
- Safety Statements
- 26 · 26-36/37/39-61-45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- WGK Germany
- 3 · 3
- RTECS
- 3420000 · UL3420000
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralRepr · Acute Tox. 3 OralRepr. 1B
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
- wgk
- 3
- rtecs
- UL3420000
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 36/37/38-25-60
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- T
- safety_code
- 26-36/37/39-61-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H360
- Hazard Classifications
- Acute Tox. 3 OralRepr. 1B
- Precautionary statements
- P201-P301+P310+P330
Chemistry & industry
Applications
Description(R)-Prunasin is a cyanogenic glucoside that is the precursor to amygdalin, a bitter component found in species of the genera Prunus and Olinia. It can be degraded to hydrogen cyanide, glucose, and benzaldehyde by the action of prunasin hydrolase and mandelonitrile lyase and possesses inhibitory effects on plant growth. (R)-Prunasin reportedly inhibits rat DNA polymerase β, which performs base excision repair required for DNA maintenance and replication, with an IC50 value of 98 μM.
UsesUsed in the synthesis of cyanogen glycoside. A component of antiperspirants, deodorants, body soaps, shampoos, hair rinses, and hair
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers78 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Aladdin Scientific[email protected]
湖北丹鼎医药科技有限公司17701422019 17701422019 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海谱科生物技术有限公司021-64705760 18027310741 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
上海澄绍生物科技有限公司021-61847300 13341622919 · [email protected]
南京尚书生物科技有限公司18266960953 · [email protected]
阿勒山（广州）生物科技有限公司18636736628 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Additional notes
DefinitionChEBI: (R)-prunasin is a prunasin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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