기본 정보
- CAS
126632-50-6- 표준 SMILES
NC(=O)OCC(O)COc1ccc(Cl)cc1- InChIKey
SKPLBLUECSEIFO-UHFFFAOYSA-N- 분자식
- C10H12ClNO4
- 평균 분자량
- 245.66 g/mol
- 단동위원소 질량
- 245.0454856
개요
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.
이름 및 식별자
- 우선 이름
- Chlorphenesin Carbamate
- IUPAC
- [3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate
- 현지명
- 클로르페네신카바메이트
- 영어명
- chlorphenesin carbamate
- 분자식
- C10H12ClNO4
- 분자량
- 245.66
이름 및 동의어
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
이름 더 보기
클로르페네신카바메이트1,2-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
데이터베이스 식별자
- CAS
126632-50-6、886-74-8- PubChem CID
- 2724
- DTXSID
DTXSID5022803- ChEMBL
CHEMBL607710- ChEBI
CHEBI:3643- UNII
- 57U5YI11WP、G014XC07GH、HQC4WI89YG
- EC Number
- 212-954-7
- Nikkaji
- J7.158G
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 81.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 219
실험 및 물리화학적 성질
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.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
독성 정보
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.
화학 및 산업
약리 정보
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.
용도 및 제조
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 PatternsPROBABLY 100% AS SKELETAL MUSCLE RELAXANT (1975)
Methods of Manufacturing
ADDITION OF P-CHLOROPHENOL TO 2,3-EPOXY-1-PROPANOL IN THE PRESENCE OF A TERTIARY AMINE CATALYST FOLLOWED BY TREATMENT OF THE RESULTING 3-(P-CHLOROPHENOXY)-1,2-PROPANEDIOL WITH CARBAMOYL CHLORIDE
COLLINS, MATTHEWS; PARKER, US PATENTS 3,161,567; 3,214,336 (1964, 1965, BOTH TO UPJOHN).
CHLOROPHENOL IS CAUSED TO UNDERGO ADDITION TO GLYCIDOL (2,3-EPOXY-1-PROPANOL) BY CATALYTIC INFLUENCE OF TERTIARY AMINE TO FORM 3-(P-CHLOROPHENOXY)-1,2-PROPANEDIOL & 1-HYDROXY GROUP IS THEN ESTERIFIED BY REACTION WITH CARBAMOYL CHLORIDE.
공급사23 곳
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