트리아졸람

트리아졸람 · Songar · Halcyon · Asasion · Halcion · U-33,030 · novidorm · Novodorm

식별자 및 물리적 특성

CAS No.	28911-01-5
분자식	C17H12Cl2N4
평균 분자량	343.2 g/mol
단동위원소 질량	342.0439018 g/mol
SMILES	Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2
InChIKey	JOFWLTCLBGQGBO-UHFFFAOYSA-N
PubChem CID	5556
ChEMBL	CHEMBL646
ChEBI	CHEBI:9674
EC No.	249-307-3
DTXSID	DTXSID6046763
현지명	트리아졸람

화학 및 물리적 성질

XLogP	2.4
극성 표면적	43.1
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	23
형식 전하	0
복잡도	472
LogP(분배 계수)	2.42log Kow = 2.425.5
LogS	-4.08
Color/Form	Tan crystals from 2-propanolA white or pale yellow crystalline powder
용해도	4.53Poorly soluble in water and soluble in alcohol.In water, 4.53 mg/L @ 25 °C /Estimated/1.83e-02 g/LDMF: 30 mg/mlDMF:PBS(pH 7.2)(1:1): 0.5 mg/mlDMSO: 20 mg/mlEthanol: 10 mg/ml
녹는점	233-235 °C233 - 235 °C209-212°C
증기압	4.5X10-9 mm Hg @ 25 °C /Estimated/
헨리 상수	Henry's Law constant = 7.2X10-12 atm-cu cm/mol @ 25 °C /Estimated/
Physical Description	Solid
Kovats Retention Index	3017300829923025300730003010301830203023304331873036.13034.23041.63031.5
Collision Cross Section	172.4 Å² [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]173.8 Å² [M+H]+ [CCS Type: DTMethod: single field calibrated]
Other Experimental Properties	Hydroxyl radical reaction rate constant = 5.0X10-12 cu cm/molec-sec @ 25 °C /Estimated/
끓는 점	499.51°C (rough estimate)
밀도	1.2835 (rough estimate)
굴절률	1.6300 (estimate)
인화점	11 °C
저장 조건	2-8°C
물리적 상태	결정성 고체
pKa(산도 계수)	pKa 1.52(H2O) (Uncertain)6.5(H2O) (Uncertain)
용해도	30mg/L(주위온도)
NIST	Triazolam(28911-01-5)
EPA	Triazolam (28911-01-5)

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 3% (1 of 33) of reports.DangerH360 (90.9%): May damage fertility or the unborn child [Danger Reproductive toxicity]H362 (93.9%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation]P203, P260, P263, P264, P270, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 33 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 33 reports by companies.There are 4 notifications provided by 32 of 33 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보	Hazard Traits - Developmental ToxicityAuthoritative List - Prop 65Report - regardless of intended function of ingredient in the productDEA schedule IV controlled substanceTriazolam: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
FDA 요건	Schedules of controlled substances are established by section 202 of the Controlled Substances Act (21 U.S.C. 812). Schedule IV depressants includes any material, compound, mixture, or preparation which contains any quantity of triazolam, including its salts, isomers, and salts of isomers whenever the existence of such salts, isomers, and salts of isomers is possible within the specific chemical designation. DEA Code Number: 2887.The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl triazolam, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.
Hazard Classes and Categories	Repr. 1B (90.9%)Lact. (93.9%)
보관 조건	Triazolam tablets should be stored in tight, light-resistant containers at a controlled room temperature of 20-25 °C.

용도

Triazolam

일반 설명

Triazolam, 8-chloro-6-(o-chlorophenyl)-1-methyl-4H-s-triazolo[4,3-a][1,4] benzodiazepine(Halcion), has all of the characteristic benzodiazepine pharmacologicalactions. It is an ultra–short-acting hypnoticbecause it is rapidly α-hydroxylated to the 1-methyl alcohol,which is then rapidly conjugated and excreted.Consequently, it has gained popularity as sleep inducers, especiallyin elderly patients, because it causes less daytimesedation. It is metabolically inactivated primarily by hepaticand intestinal CYP3A4; therefore, coadministration withgrapefruit juice increases its peak plasma concentration by30%, leading to increased drowsiness.