CAS 148-72-1 MFCD00078497-Pilocarpine nitrate - TAO{mole}

Pilocarpine nitrate -

CAS 148-72-1 MFCD00078497

化学结构图

SMILES: CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C.O=[N+]([O-])O

化学属性

Mol. Formula	C11 H16 N2 O2 . H N O3
Mol. Weight	271.27
Melting Point	>172°C (dec.)
Solubility	H2O: 0.1 g/mL, clear, very faintly yellow
Refractive index	81 ° (C=2, H2O)
Boiling Point
Flash Point	-

别名和识别编码

Chemical Name	Pilocarpine nitrate
MDL Number	-
CAS Number	148-72-1
PubChem Substance ID	657349
EC Number	205-723-7
Beilstein Registry Number	4171406
Synonym	(3S)-3-Ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one nitrate (3S,4R)-3-Ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone mononitrate (3S,4R)-3-Ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone mononitrate; (3S)-3-Ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one nitrate (3S,4R)-3-乙基二氢-4-[(1-甲基-1H-咪唑-5-基)甲基]-2(3H)-呋喃酮硝酸盐 2(3H)-Furanone, 3-ethyldihydro-4-(1-methyl-1H-imidazol-5-yl)methyl-, (3S,4R)-, mononitrate 3-ETHYLDIHYDRO-4-[(1-METHYL-1H-IMIDAZOL-5-YL)-METHYL]-2-(3H)-FURANONE NITRATE 3-ethyldihydro-4-[(1-methyl-1h-imidazol-5-yl)methyl]-2(3h)-furanon(3s-cis) Hydrochloride, Pilocarpine Isopilocarpine Isoptocarpine Nitrate, Pilocarpine Ocusert P. V. carpine liquifilm PILOCARPINE NIT PILOCARPINE NITRATE PILOCARPINE NITRATE SALT
Chemical Name Translation	-
Merck Number	7424
Wiswesser Line Notation	T5OVTJ C2 D1- ET5N CNJ A1 &WNO
InChI	InChI=1S/C11H16N2O2.HNO3/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;2-1(3)4/h5,7-8,10H,3-4,6H2,1-2H3;(H,2,3,4)/t8-,10-;/m0./s1
LabNetwork Molecule ID	LN01290532
Canonical SMILES	-

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安全信息

GHS Symbol

WGK Germany3

Hazard statements

H300 Fatal if swallowed 吞食致命
H330 Fatal if inhaled 吸入致命

Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Precautionary statements

P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P284 Wear respiratory protection.? 佩戴呼吸保护装置。
P301+P310
P304+P340
P304+P340+P310
P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
P320 Specific treatment is urgent (see … on this label). 紧急具体治疗（见本标签上的）。
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Danger

Safety Statements

S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S1 Keep locked up 上锁；
S25 Avoid contact with eyes 避免眼睛接触；

Hazard Codes T+ Xn,T+

Risk Statements

R22 Harmful if swallowed 吞咽有害
R26/28 Very toxic by inhalation and if swallowed 吸入及吞食都有剧毒

Packing GroupIII

Hazard Class6.1(b)

Storage condition +4°C 2-8°C 4 4°C 4℃

UN Number 3087

RTECSTK1455000

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 345 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 41,259,1931

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 911 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - fluid intake
   Kidney, Ureter, Bladder - urine volume decreased
REFERENCE :
   PHMCAA Pharmacologist.  (American Soc. for Pharmacology and Experimental
   Therapeutics, 9650 Rockville Pike, Bethesda, MD 20014)  V.1-    1959-
   Volume(issue)/page/year: 4,176,1962

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 8 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 344,103,1995

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 8 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 344,103,1995

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 12 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 344,103,1995

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2200 mg/kg
SEX/DURATION            : female 1-22 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - skin and skin
   appendages
REFERENCE :
   ANREAK Anatomical Record.  (Alan R. Liss, Inc., 41 E. 11th St., New York, NY
   10003)  V.1-    1906/08-  Volume(issue)/page/year: 145,250,1963

其他信息

F:3-10
Sigma Aldrich:148-72-1(sigmaaldrich)
TCI Shanghai:毛果芸香碱硝酸盐 Pilocarpine Nitrate,>;98.0%(T)(148-72-1)
MOL 文件:148-72-1.mol
图谱信息:硝酸毛果芸香碱(148-72-1)核磁图( 1 HNMR) 硝酸毛果芸香碱(148-72-1)红外图谱(IR1) 硝酸毛果芸香碱(148-72-1)红外图谱(IR2) 硝酸毛果芸香碱(148-72-1)质谱(MS)