기본 정보
- 표준 SMILES
N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O- InChIKey
LDCYZAJDBXYCGN-VIFPVBQESA-N- 분자식
- C11H12N2O3
- 평균 분자량
- 220.22 g/mol
- 단동위원소 질량
- 220.08479224
개요
L-5-hydroxytryptophan appears as colorless to pale pink crystals. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Oxitriptan
- IUPAC
- (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
4350-09-8- PubChem CID
- 439280
- DTXSID
DTXSID1025437- ChEMBL
CHEMBL350221- ChEBI
CHEBI:17780- UNII
- C1LJO185Q9
- EC Number
- 224-411-1
- Nikkaji
- J4.572A
물성
구조 계산 물성
- XLogP
- -1.2
- 극성 표면적
- 99.3 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 272
실험 및 물리화학적 성질
Solubility
Slightly soluble (NTP, 1992)
32.6 [ug/mL] (The mean of the results at pH 7.4)
Melting Point
518 °F (decomposes) (NTP, 1992)
295-297
293 - 298 °C
Physical Description
L-5-hydroxytryptophan appears as colorless to pale pink crystals. (NTP, 1992)
Solid
Collision Cross Section
152.2 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
157.88 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
155.6 Ų [M+H]+
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (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.
유해성 정보
안전 및 보호
First Aid
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.
Nonfire Spill Response
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.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
독성 정보
Toxicity Summary
5-Hydroxy-L-tryptophan is the immediate precursor of the neurotransmitter serotonin. An accumulation of 5-hydroxy-L-tryptophan in cerebrospinal fluid occurs in aromatic L-amino acid decarboxylase deficiency, accompanied by an increased excretion in the urine of the patients, which are indicative of the disorder. 5-Hydroxy-L-tryptophan easily crosses the blood-brain barrier and effectively increases central nervous system (CNS) synthesis of serotonin. Supplementation with 5-hydroxy-L-tryptophan is hypothesized to normalize serotonin synthesis, which is putatively related to its antidepressant properties.
화학 및 산업
약리 정보
ATC Code
N - Nervous system
QN - Nervous system
Metabolism/Metabolites
5-Hydroxytryptophan is decarboxylated to serotonin (5-hydroxytryptamine or 5-HT) by the enzyme aromatic-L-amino-acid decarboxylase via a vitamin B6 dependent reaction in nervous tissue and in the liver.
5-Hydroxytryptophan is decarboxylated to serotonin (5-hydroxytryptamine or 5-HT) by the enzyme aromatic-L-amino-acid decarboxylase with the help of vitamin B6. This reaction occurs both in nervous tissue and in the liver.
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