기본 정보
- 표준 SMILES
CC(O)C(=O)O.COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC- InChIKey
IIZVTUWSIKTFKO-UHFFFAOYSA-N- 분자식
- C17H24N4O6
- 평균 분자량
- 380.4 g/mol
이름 및 식별자
- 우선 이름
- Trimethoprim lactate
- IUPAC
- 2-hydroxypropanoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
- 영어명
- Trimethoprim lactate salt
- 분자식
- C17H24N4O6
- 분자량
- 380.4
이름 및 동의어
23256-42-0TRIMETHOPRIM LACTATELACTOTRIMUNII-P3K8GP9FDQP3K8GP9FDQEINECS 245-533-1TRIMETHOPRIM LACTATE [WHO-DD]2,4-PYRIMIDINEDIAMINE, 5-((3,4,5-TRIMETHOXYPHENYL)METHYL)-, MONO(2-HYDROXYPROPANOATE)RefChem:191738245-533-1Trimethoprim lactate saltTrimethoprim lactic Acid
이름 더 보기
Lactic triMethopriMLactic acid trimethoprim5-(3,4,5-Trimethoxybenzyl)Trimethylolpropane lactateTrimethoprim lactate, >=99%Trimethoprim lactate salt USP/EP/BPTrimethoprim lactate salt /Lactate TMP
5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diamine 2-hydroxypropanoateTrimethoprim (lactate)MLS000069832Wellcoprim (TN)2-oxidanylpropanoic acidOpera_ID_7052-hydroxypropanoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamineMFCD00171722
데이터베이스 식별자
- CAS
23256-42-0- PubChem CID
- 3084396
- DTXSID
DTXSID00945947- ChEMBL
CHEMBL1430611- UNII
- P3K8GP9FDQ
- EC Number
- 245-533-1
물성
구조 계산 물성
- 극성 표면적
- 163 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 366
실험 및 물리화학적 성질
Solubility>57.1 [ug/mL] (The mean of the results at pH 7.4)
물리화학적 성질
- 녹는점
- 170 · 170 - 172°C
- 저장 조건
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 용해도
- 2 O: · H2O: 가용성20mg/mL
- 물리적 상태
- 가루
- 색상
- 하얀색
- 수용성
- 물에 용해됨
- InChI
- InChI=1S/C14H18N4O3.C3H6O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-2(4)3(5)6/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2,4H,1H3,(H,5,6)
- InChIKey
- IIZVTUWSIKTFKO-UHFFFAOYSA-N
- SMILES
- C(O)(C)C(=O)O.C(C1=CN=C(N)N=C1N)C1C=C(OC)C(OC)=C(OC)C=1
화학적 성질
Crystalline
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.
Danger
H301 (40%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P261, P262, P264, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P318, P321, P330, P333+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationTrimethoprim lactate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (40%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2811
- risk_code
- 23/24/25-43-61
- hazard_code
- T
- safety_code
- 22-36/37/39-45-53
- 포장분류
- III
- 위험 등급
- 6.1(b)
- Hazard Classifications
- Acute Tox. 3 OralRepr. 2
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
용도Trimethoprim lactate salt is an antibacterial agent.
공급사50 곳
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