基本情報
- CAS
126632-50-6- 標準SMILES
NC(=O)OCC(O)COc1ccc(Cl)cc1- InChIKey
SKPLBLUECSEIFO-UHFFFAOYSA-N- 分子式
- C10H12ClNO4
- 平均分子量
- 245.66 g/mol
- 単同位体質量
- 245.0454856
概要
Chlorphenesin carbamate is the carbamate ester of the primary hydroxy group of chlorphenesin. A centrally acting skeletal muscle relaxant, it is used in the symptomatic treatment of painful muscle spasm. It has a role as a muscle relaxant. It is a carbamate ester, a secondary alcohol and a member of monochlorobenzenes. It is functionally related to a carbamic acid and a chlorphenesin.
名称と識別子
- 優先名称
- Chlorphenesin Carbamate
- IUPAC
- [3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate
- 英語名
- chlorphenesin carbamate
- 分子式
- C10H12ClNO4
- 分子量
- 245.66
名称と別名
CHLORPHENESIN CARBAMATE886-74-8MaolateRinlaxer3-(4-Chlorophenoxy)-2-hydroxypropyl carbamate3-(p-Chlorophenoxy)-1,2-propanediol 1-carbamate3-(p-Chlorophenoxy)-2-hydroxypropyl carbamate3-(4-Chlorophenoxy)-1,2-propanediol-1-carbamateDTXSID5022803U-19,6463-(p-Chlorophenoxy)-1,2-propanediol-1-carbamateU 19646
名称をさらに表示
1,2-Propanediol, 3-(4-chlorophenoxy)-, 1-carbamate, (-)-1,2-Propanediol, 3-(4-chlorophenoxy)-, 1-carbamate, (-)- (9CI)
1,2-Propanediol, 3-(p-chlorophenoxy)-, 1-carbamateNSC-82943carbamic acid 3-(p-chlorophenoxy)-2-hydroxypropyl ester57U5YI11WPNSC829431,2-propanediol-3-(p-chlorophenoxy)-1-carbamateU-19646CHEBI:3643
データベース識別子
- CAS
126632-50-6、886-74-8- PubChem CID
- 2724
- DTXSID
DTXSID5022803- ChEMBL
CHEMBL607710- ChEBI
CHEBI:3643
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 81.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 6
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 219
実験および物理化学的性質
OdorODORLESS
TastePRACTICALLY TASTELESS
Color/Form
CRYSTALS FROM BENZENE + TOLUENE
WHITE TO OFF-WHITE POWDER
Solubility
READILY SOL IN 95% ETHANOL, ACETONE, ETHYL ACETATE; FAIRLY READILY SOL IN DIOXANE; ALMOST INSOL IN COLD WATER, BENZENE, CYCLOHEXANE
SLIGHTLY SOL IN CHLOROFORM
FREELY SOL IN ALCOHOL
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Animal DrugsFDA approved animal drugs -> Active ingredient
Melting Point89-91 °C
Stability/Shelf LifeSTABLE IN LIGHT, AIR, AND AT ORDINARY TEMP.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
毒性情報
Interactions
IT NONCOMPETITIVELY ANTAGONIZED HISTAMINE, ACETYLCHOLINE, NOREPINEPHRINE & OXYTOCIN IN ISOLATED GUINEA PIG INTESTINE & TRACHEA & IN RAT VAS DEFERENS & UTERUS.
IT POTENTIATED THE HEXOBARBITAL-INDUCED SLEEPING TIME IN MICE & ITS ED50 VALUE WAS 99 MG/KG.
Human Toxicity Excerpts
MOST COMMON UNTOWARD EFFECTS ARE DROWSINESS AND DIZZINESS. ADVERSE REACTIONS NOTED OCCASIONALLY INCLUDE GI DISTURBANCES, PARADOXICAL STIMULATION, NERVOUSNESS, INSOMNIA, HEADACHE, & ASTHENIA. RASH & PRURITUS OCCUR RARELY.
SIDE EFFECTS INCLUDE...EPIGASTRIC DISTRESS, NAUSEA...
CENTRALLY ACTING MUSCLE RELAXANTS COMMONLY PRODUCE...BLURRED VISION, WEAKNESS, LETHARGY, ATAXIA, & NYSTAGMUS. ...VOMITING, HEARTBURN, & ABDOMINAL DISTRESS ARE ALSO OBSERVED, ESPECIALLY AFTER LARGE ORAL DOSES. HYPERSENSITIVITY REACTIONS INCLUDE...RARELY, ANAPHYLACTOID REACTION & LEUKOPENIA. /MUSCLE RELAXANTS/
Non-Human Toxicity Excerpts
LIVER FUNCTION MAY BE ADVERSELY AFFECTED DURING ITS USE. HYPERSENSITIVITY, DIARRHEA, URTICARIA, NAUSEA, MUSCLE TREMORS, AND MILD DEPRESSION HAVE BEEN REPORTED AS OCCASIONAL UNTOWARD EFFECTS.
GIVEN TO MICE ORALLY INHIBITED THE GRIP TONE, PINNA REFLEX & SPONTANEOUS ACTIVITY, BUT HAD NO EFFECT ON CORNEAL REFLEX & RESP RATE. IN MICE & RATS IT SHOWED MUSCLE RELAXING EFFECT.
ADMIN ORALLY TO RATS DECR MOTOR ACTIVITY & INDUCED SEDATION & MUSCLE RELAXATION. BODY WT GAIN WAS INHIBITED @ 150 MG/KG IN MALES & @ 330 MG/KG IN FEMALES; IT CORRELATED WITH FOOD INTAKE. IT CAUSED SLIGHT ENLARGEMENT OF THE LIVER & ADRENAL GLAND.
IT TRANSIENTLY DEPRESSED HEART RATE & AMPLITUDE OF ISOLATED RABBIT & FROG HEART. IN ANESTHETIZED DOG, THERE WAS INCR IN BLOOD FLOW OF PERIPHERAL VASCULATURE & BLOOD PRESSURE & HEART RATE. IT INHIBITED TWITCH RESPONSE OF ISOLATED PHRENIC NERVE DIAPHRAGM PREPN.
LD50 VALUES IN MALE & FEMALE RATS WERE 744 & 817 MG/KG ORALLY, WHEREAS THOSE IN MALE & FEMALE MICE WERE 807 & 844 MG/KG, SUGGESTING THAT LD50 VALUES ARE INDEPENDENT OF SEX & ANIMAL SPECIES. GIVEN ORALLY TO RATS @ 330 MG/KG/DAY FOR 30 DAYS INHIBITED BODY WT GAIN.
化学と産業
薬理情報
Mechanism of Action
MUSCLE RELAXANTS CAUSE SKELETAL MUSCULAR RELAXATION, WITHOUT LOSS OF CONSCIOUSNESS, AS RESULT OF SELECTIVE ACTION UPON CNS. ... PROMINENT EFFECT OF MUSCLE RELAXANTS IS TO DEPRESS SPINAL POLYSYNAPTIC REFLEXES PREFERENTIALLY OVER MONOSYNAPTIC REFLEXES. ... MECHANISM OF ACTION...REMAIN TO BE ELUCIDATED. /MUSCLE RELAXANTS/
Metabolism/Metabolites
MAJOR METABOLITE (49% OF DOSE) IS ETHER GLUCURONIDE OF CHLORPHENESIN CARBAMATE...
5% APPEARED IN URINE AS P-CHLOROPHENOXYLACTIC ACID, 17% AS P-CHLOROPHENOXYACETIC ACID, AND 9% AS SULFATE CONJUGATE OF P-CHLOROPHENOL...
MAJOR METABOLITES IN A 48-HR URINE SAMPLE FROM RATS GIVEN (14)C-LABELED CHLORPHENESIN CARBAMATE WERE GLUCURONIDE, P-CHLOROPHENOXYLACTIC ACID, P-CHLOROPHENOXYACETIC ACID, & P-CHLOROPHENOL.
Absorption, Distribution and Excretion
ORAL DOSES ARE READILY ABSORBED /IN ANIMALS/.
MUCH OF DOSE OF CHLORPHENESIN CARBAMATE...IS RAPIDLY EXCRETED IN URINE OF RATS & OF MAN.
AFTER ORAL ADMIN OF (14)C-LABELED CHLORPHENESIN CARBAMATE TO RATS, IT WAS ABSORBED FROM GI TRACT; EXCRETED IN URINE ABOUT 90%; 36% IN BILE. RADIOACTIVITY WAS DISTRIBUTED IN ALMOST ALL TISSUES, HIGHEST IN LIVER, BRAIN & SPINAL CORD.
用途と製造
Uses
MEDICATION
MEDICATION (VET):
U.S. Exports
(1972) No Data
(1975) No Data
U.S. Imports
(1972) No Data
(1975) No Data
U.S. Production
(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS
(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS
Consumption Patterns
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…