5-히드록시-L-트리프토판

5-하이드록시-L-트리프토판 · 5-히드록시-L-트리프토판 · 5-하이드록시-L-트리프토판(5-HYDROXY-L-TRYPTOPHAN) · 5-HTP · OXITRIPTAN · (S)-2-Amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid · L-5-HTP · L-2-AMINO-3-(5-HYDROXYINDOLYL)PROPIONIC ACID

https://huagongshe.com/ko/chemical/439280

식별자 및 물리적 특성

CAS No.	4350-09-8
분자식	C11H12N2O3
평균 분자량	220.22 g/mol
단동위원소 질량	220.08479224 g/mol
SMILES	N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O
InChIKey	LDCYZAJDBXYCGN-VIFPVBQESA-N
PubChem CID	439280
ChEMBL	CHEMBL350221
ChEBI	CHEBI:17780
EC No.	224-411-1
DTXSID	DTXSID1025437
현지명	5-히드록시-L-트리프토판

화학 및 물리적 성질

XLogP	-1.2
극성 표면적	99.3
수소 결합 공여자 수	4
수소 결합 수용자 수	4
회전 가능 결합 수	3
무거운 원자 수	16
형식 전하	0
복잡도	272
의약품	Pharmaceuticals -> Listed in ZINC15
LogP(분배 계수)	-2.051
용해도	Slightly soluble (NTP, 1992)32.6 [ug/mL] (The mean of the results at pH 7.4)H2O: 10 mg/mL
Dietary Ingredients	Hydroxytryptophan (5-HTP)
녹는점	518 °F (decomposes) (NTP, 1992)295-297293 - 298 °C270 °C (dec.) (lit.)
Physical Description	L-5-hydroxytryptophan appears as colorless to pale pink crystals. (NTP, 1992)Solid
Collision Cross Section	152.2 Å² [M+Na]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]157.88 Å² [M+H]+ [CCS Type: DTMethod: stepped-field]155.6 Å² [M+H]+
끓는 점	361.16°C (rough estimate)
밀도	0.902 g/mL at 25 °C (lit.)
굴절률	n20/D 1.4850(lit.)
인화점	175 °F
저장 조건	2-8°C
물리적 상태	고체
pKa(산도 계수)	2.22±0.10(Predicted)
색상	하얀색
용해도	약간 용해됨
Merck	14,4847
BRN	88200
주요 응용	소분자 약용
InChI	1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
InChIKey	LDCYZAJDBXYCGN-VIFPVBQESA-N
SMILES	N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
LogP(분배 계수)	-0.140 (est)
EPA	L-5-Hydroxytryptophan (4350-09-8)

화학적 성질

white to pale grey powder

안전 및 규제

GHS 분류	DangerH301 (97.3%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 112 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Oxitriptan: Does not have an individual approval but may be used under an appropriate group standard
운송 라벨(DOT)	Poison
화재 위험	Flash point data for this compound are not available, however, it is probably combustible. (NTP, 1992)
건강 유해성	Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
반응성 그룹	Phenols and Cresols
Reactivity Profile	L-5-HYDROXYTRYPTOPHAN reacts with bases. (NTP, 1992).
Air and Water Reactions	This compound is sensitive to air. Slightly water soluble (NTP, 1992).
Hazard Classes and Categories	Acute Tox. 3 (97.3%)
소화	Fires involving this compound can be controlled using dry chemical, carbon dioxide or Halon extinguishers. (NTP, 1992)
응급 처치	EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
비화재 누출 대응	SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

용도

A labelled metabolite of Tryptophan

일반 설명

Colorless to pale pink crystals.