시스-4-아미노메틸시클로헥산-1-카르복실산

4-(Aminomethyl)cyclohexanecarboxylic acid

HCID 5526

기본 정보

CAS: 1197-17-7
표준 SMILES: NCC1CCC(C(=O)O)CC1
InChIKey: GYDJEQRTZSCIOI-UHFFFAOYSA-N
분자식: C8H15NO2
평균 분자량: 157.21 g/mol
단동위원소 질량: 157.11027872

개요

Tranexamic acid is a monocarboxylic acid. It has a role as an antifibrinolytic drug and a hematologic agent. It is functionally related to a cyclohexanecarboxylic acid.

이름 및 식별자

우선 이름: 4-(Aminomethyl)cyclohexanecarboxylic acid
IUPAC: 4-(aminomethyl)cyclohexane-1-carboxylic acid
현지명: 시스-4-아미노메틸시클로헥산-1-카르복실산
영어명: cis-4-aminomethylcyclohexane-1-carboxylic acid
분자식: C8H15NO2
분자량: 157.21

이름 및 동의어

701-54-24-(Aminomethyl)cyclohexanecarboxylic acidCyclohexanecarboxylic acid, 4-(aminomethyl)-4-(Aminomethyl)-Cyclohexanecarboxylic AcidDTXSID50904827RefChem:1070026DTXCID1025350622-133-9tranexamic acid1197-18-81197-17-7trans-4-(Aminomethyl)cyclohexanecarboxylic acid

이름 더 보기

시스-4-아미노메틸시클로헥산-1-카르복실산(1s,4s)-4-(aminomethyl)cyclohexane-1-carboxylic acidTranexamic EP Impurity Bcis-AMCHAcis-TranexaMic AcidTranexamic EP Imp BTranexamic EP Impurity 1Tranexamic Acid EP Impurity BTranexamic Acid EP Impurity B Acis-4-(Aminomethyl)-1-cyclohexanecarb4-(aminomethyl)cyclohexanecarboxylicaci

CyklokapronTrans AMCHACyclocapronTransaminAmstatTranhexamic acidTranexamsaeureRikavarin

데이터베이스 식별자

CAS: 1197-17-7、1197-18-8、701-54-2
PubChem CID: 5526
DTXSID: DTXSID50904827
ChEMBL: CHEMBL292500
ChEBI: CHEBI:48669
UNII: 37YD696II6、6T84R30KC1
EC Number: 622-133-9
Nikkaji: J1.237.845I、J3.664A、J52.956G

물성

구조 계산 물성

XLogP: -2
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 139

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals -> Used in Switzerland

CosmeticsAstringent

Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan

물리화학적 성질

녹는점: 226 · 226-228°C
끓는 점: 300.2 · 300.2±15.0 °C(Predicted)
밀도: 1.095 · 1.095
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: Methanol (Slightly, Heated), Water (Slightly)
물리적 상태: 고체
산도 계수 (pKa): 4.79 · 4.79±0.25(Predicted)
색상: 흰색~밝은 베이지
InChI: InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7+
InChIKey: GYDJEQRTZSCIOI-KNVOCYPGSA-N
SMILES: [C@@H]1(C(O)=O)CC[C@H](CN)CC1

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2 (100%)

안전 데이터

risk_code: 36/37/38
safety_code: 26-37/39

화학 및 산업

약리 정보

ATC CodeB02AA02

용도 및 제조

Use Classification · 2건

Cosmetics -> Astringent

Pharmaceuticals -> Animal Drugs -> Approved in Taiwan

응용 분야

용도Labelled cis-Tranexamic Acid

공급사88 곳

陕西科贝莱药物研发有限公司13119135307 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

上海策嵘生物科技有限公司[email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

화합물 노트

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