CAS 21829-25-4 MFCD00057326-Nifedipine 硝苯地平 TAO{mole}

Nifedipine 硝苯地平

CAS 21829-25-4 MFCD00057326

化学结构图

SMILES: [2H]C([2H])([2H])OC(=O)C1C(C(C(=O)OC([2H])([2H])[2H])=C(C)NC=1C)C1=CC=CC=C1[N+]([O-])=O

化学属性

Mol. Formula	C17H18N2O6
Mol. Weight	346
Melting Point	173-177
Solubility	DMSO: soluble ethanol: soluble
Density	1.422

别名和识别编码

Chemical Name	Nifedipine
CAS Number	21829-25-4
Alfabeta Name	DIMETHYLDIMETHYLNITROPHENYLDIHYDROPYRIDINEDICARBOXYLATE 26421435()--------,,,
MDL Number	MFCD00057326
Synonym	1 1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic Acid Dimethyl Ester 1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid 1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester 1,4-二氢-2,6-二甲基-4-(2-硝基苯基)-3,5-吡啶二羧酸二甲酯 4-二氢-2 5-吡啶二羧酸二甲酯 6-二甲基-4-(2-硝基苯基)-3 Adalat Adalate BAY 1040 BAY A 1040 Citilat Corinfar Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2'-nitrophenyl)-3,5-pyridinedicarboxylate; 1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester Nifedipine 利心平心痛定
PubChem Substance ID	87573853
EC Number	244-598-3
Beilstein Registry Number	0497773
Reaxys-RN	497773
Merck Number	6528
Chemical Name Translation	硝苯地平
Wiswesser Line Notation	T6M DHJ B1 CVO1 DR BNW& EVO1 F1
LabNetwork Molecule ID	LN00158815

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分类

{SNA} Application Index, Approved Therapeutics/Drug Candidates, Bayer, Bioactive Small Molecules, Biochemicals and Reagents, Calcium Channel Modulators, Cell Biology, Cell Signaling Enzymes, Cell Signaling and Neuroscience, Enzymes, Inhibitors, and Substrates, Inhibitors, Inhibitors and Activators, Ion Channels, N, Pfizer Compounds, Substrates, Voltage-gated Ion Channels, Xenobiotics and Drug Metabolism
{SNA} Application Index, Approved Therapeutics/Drug Candidates, Bayer, Bioactive Small Molecule Alphabetical Index, Calcium Channel Modulators, Cell Signaling Enzymes,

安全信息

Warnings IRRITANT

GHS Symbol

WGK Germany1

Hazard statements

H302 Harmful if swallowed 吞食有害

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

RTECSUS7975000

Signal word Warning

Hazard Codes Xn

Safety Statements

S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36 Wear suitable protective clothing 穿戴适当的防护服；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；

Risk Statements

R22 Harmful if swallowed 吞咽有害
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Precautionary statements

P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
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。
P301+P312+P330
P501 Dispose of contents/container to..… 处理内容物/容器.....

Storage condition 储存温度2-8℃ 2-8°C

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4200 ug/kg
TOXIC EFFECTS :
   Behavioral - changes in motor activity (specific assay)
   Lungs, Thorax, or Respiration - dyspnea
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   ARZNAD Arzneimittel-For

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   54,275,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 504 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 35,915,1985

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 105 mg/kg/26W-I
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - effect, not otherwise
   specified
REFERENCE :
   LANCAO Lancet.  (7 Adam St., London WC2N 6AD, UK)  V.1-    1823-
   Volume(issue)/page/year: 339,1382,1992

{hazar

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 40 mg/kg
SEX/DURATION            : female 14 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year: 40,127,1988

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 15 mg/kg
SEX/DURATION            : female 11 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   REPTED Reproductive Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1987-  Volume(issue)/page/year:
   11,207,1997

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE                    : 200 ug/kg
SEX/DURATION            : female 27 week(s) after conception
TOXIC EFFECTS :
   Reproductive - Maternal Effects - other effects
   Reproductive - Effects on Embryo or Fetus - other effects to embryo
REFERENCE :
   GOBIDS Gynecologic and Obstetric Investigation.  (S. Karger Pub., Inc., 79
   Fifth Ave., New York, NY 10003)  V.9-    1978-  Volume(issue)/page/year:
   24,151,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 780 mg/kg
SEX/DURATION            : female 6-18 day(