Basic information
- CAS
34583-34-1- Standard SMILES
O[C@@H]1CN2CCC1CC2- InChIKey
IVLICPVPXWEGCA-SSDOTTSWSA-N- Molecular formula
- C7H13NO
- Average molar mass
- 127.18 g/mol
Names & identifiers
- Preferred name
- 3-Quinuclidinol, (+)-
- IUPAC
- (3S)-1-azabicyclo[2.2.2]octan-3-ol
- English name
- (S)-(+)-3-Quinuclidinol
- Molecular formula
- C7H13NO
- Molecular weight
- 127.18
Names & synonyms
34583-34-1(S)-(+)-3-Quinuclidinol(S)-3-Hydroxyquinuclidine(S)-3-Quinuclidinol(S)-3-Quinuclidol3-Quinuclidinol, (+)-2XEB6A770I1-Azabicyclo(2.2.2)octan-3-ol, (3S)-(S)-(+)-1-Azabicyclo(2.2.2)octan-3-ol1-Azabicyclo[2.2.2]octan-3-ol, (3S)-RefChem:505291681-383-7
Show more names
JACS-34583-34-1sinensis alcoholS-(+)-Quinuclidinol(+)-Quinuclidin-3-olSolifenacin Impurity 3S-Quinuclidin-3-ol(W.S)
(S)-Quinuclidin-3-ol(3s)-quinuclidin-3-ol(3S)-1-azabicyclo[2.2.2]octan-3-ol(+)-3-quinuclidinolSolifenacin Impurity 39S-(+)-3-QUINUCLIDINOLUNII-2XEB6A770I(3S)-1-Azabicyclo[2.2.2]octan-3-ol ((3S)-3-Quinuclidinol)
Database identifiers
- CAS
34583-34-1- PubChem CID
- 736411
- UNII
- 2XEB6A770I
- EC Number
- 681-383-7
- Nikkaji
- J522.548E
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Melting point
- 215 · 215-217 °C
- Boiling point
- 206.9 · 206.9±23.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Aqueous Acid (Slightly), Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.75 · 14.75±0.20(Predicted)
- color
- White to Off-White
- FDA UNII
- 2 XEB6A770I · 2XEB6A770I
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Safety Statements
- 24 · 24/25
- HS Code
- 29349990 · 29349990
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
Danger
H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (20%)
Safety data
- hs_code
- 29349990
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- safety_code
- 24/25
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Applications
Uses(3S)-1-Azabicyclo[2.2.2]octan-3-ol is an intermediate in the synthesis of Solifenacin Hydrochloride (S676700), a muscarinic M3 receptor antagoinst. Used in treatment of urinary incontinence. Also used in the synthesis of new anticholinergenic drugs such as penehyclidine hydrochloride.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
天津万象恒远科技有限公司15722085254 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
杭州东帆化学有限公司86-0571-85151182
上海迪外化工科技有限公司021-61551100
南京瑞泰生化技术有限公司+86-(0)25-84931986,(0)18951962398
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海汇凯化学科技有限公司021-61995394 18916691159 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
重庆科沃化工有限公司18680818008/15802381793 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
武汉励合化学新材料有限公司027-88395709
上海拓目化工有限公司13391076197 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
凯试（上海）科技有限公司021-50135380 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
上海伯倚化工科技有限公司021-54096810 18017263450 · [email protected]
南京励合化学新材料有限公司025-87787262
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
南京菲泓科技有限公司025-58855213 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
深圳卓越生物医药科技有限公司0755-26050679 18318671572 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
Related reactions
22 records
Compound notes
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