이오산산

이오산산 · Iopanoic · 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid · colepax · win2011 · Bilipac · cistobil · cholevid

https://huagongshe.com/ko/chemical/3735

식별자 및 물리적 특성

CAS No.	96-83-3
분자식	C11H12I3NO2
평균 분자량	570.93 g/mol
단동위원소 질량	570.8002 g/mol
SMILES	CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O
InChIKey	OIRFJRBSRORBCM-UHFFFAOYSA-N
PubChem CID	3735
ChEMBL	CHEMBL867
ChEBI	CHEBI:5951
EC No.	202-539-9
DTXSID	DTXSID6023159
현지명	이오산산

화학 및 물리적 성질

XLogP	3.9
극성 표면적	63.3
수소 결합 공여자 수	2
수소 결합 수용자 수	3
회전 가능 결합 수	4
무거운 원자 수	17
형식 전하	0
복잡도	277
냄새	FAINTLY AROMATIC
맛	TASTELESS
Color/Form	POWDER
용해도	CREAM-COLORED SOLIDSOL IN DIL ALKALI, 95% ALC, OTHER ORG SOLVENTS /DL-ISOMER/INSOL IN WATERSOL IN CHLOROFORM & ETHERSOL IN SOLN OF ALKALI HYDROXIDES & CARBONATESDMSO및메탄올에 용해됨
녹는점	MELTS WITH DECOMP BETWEEN 152 DEG & 158 °CCRYSTALSSPECIFIC OPTICAL ROTATION (ETHANOL, 2%): -5.2 +/- 0.1 DEG @ 20 °C/DMP: 162-163 °C /L-ISOMER/SPECIFIC OPTICAL ROTATION (ETHANOL, 2%): +5.1 +/- 0.1 DEG @ 20 °C/DMP: 162 °C /D-ISOMER/153 °C
Stability/Shelf Life	DARKENS ON EXPOSURE TO LIGHT
Collision Cross Section	171.5 Å² [M]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID6023159]172.7 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
끓는 점	529.1±50.0 °C(Predicted)
밀도	2.2567 (estimate)
저장 조건	2-8°C
pKa(산도 계수)	4.8(at 25℃)
물리적 상태	Solid
색상	연한 갈색
용해도	348.3mg/L(37℃)
Merck	14,5058
BCS Class	2
주요 응용	의약품(소분자)
InChI	1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
InChIKey	OIRFJRBSRORBCM-UHFFFAOYSA-N
SMILES	O=C(O)C(CC)CC1=C(I)C(N)=C(I)C=C1I
EPA	Benzenepropanoic acid, 3-amino-.alpha.-ethyl-2,4,6-triiodo- (96-83-3)

화학적 성질

Light Brown Solid

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.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.
기타 안전 정보	IMAP assessments - Benzenepropanoic acid, 3-amino-.alpha.-ethyl-2,4,6-triiodo-: Environment tier I assessmentIMAP assessments - Benzenepropanoic acid, 3-amino-.alpha.-ethyl-2,4,6-triiodo-: Human health tier I assessment
Hazard Classes and Categories	Acute Tox. 4 (100%)
상호 작용	RESULTS INDICATE THAT HEPATIC METABOLISM OF IOPANOATE TO ITS GLUCURONIDE IS DECREASED BY ETHER & PENTOBARBITAL ANESTHESIA IN COMPARISON TO URETHANE ANESTHESIA OR DECEREBRATION.A SINGLE CASE HAS BEEN REPORTED OF POOR RADIOGRAPHIC VISUALIZATION OF THE GALL BLADDER DUE APPARENTLY TO AN INTERACTION BETWEEN IOPANOIC ACID AND CHOLESTYRAMINE WITHIN THE GUT.IOPANOIC ACID ADMIN RESULTS IN INCR SULFOBROMOPHTHALEIN (BSP) RETENTION, PROBABLY BY COMPETING WITH BSP FOR CONCN AND EXCRETION BY THE LIVER.STUDIES ON THE FACTORS THAT INFLUENCE THE INTESTINAL ABSORPTION OF CHOLECYSTOPAQUES REVEALED THAT CHOLESTYRAMINE DECREASED THE ABSORPTION OF IOPANOIC ACID. IOPANOIC ACID WAS ABSORBED RELATIVELY SLOWLY & EXCRETED AT A CONSTANT RATE.IN HEALTHY SUBJECTS, TEMPORAL CHANGES IN THE RESPONSES OF SERUM TSH & PROLACTIN (PRL) TO A FIXED DOSE OF TRH (SYNTHETIC TSH-RELEASING HORMONE, 500 MUG, IV) WERE STUDIED & SERUM T4, T3, & RT3 CONCN WERE ASSESSED BEFORE, IMMEDIATELY AFTER, & THEN AT WEEKLY INTERVALS AFTER THE 3 DAILY DOSES OF IOPANOIC ACID. BOTH BASAL & TRH-STIMULTED TSH CONCN WERE INCREASED AT THE END OF THE PERIOD OF IP ADMIN. SERUM T3 CONCN WAS DECREASED.
Human Toxicity Excerpts	OCCASIONALLY, NAUSEA & DIARRHEA &, RARELY, DYSURIA HAVE FOLLOWED ITS ADMIN. A MILD STINGING SENSATION DURING URINATION MAY OCCUR. HYPERSENSITIVITY REACTIONS INVOLVING THE SKIN, MUCOUS MEMBRANE, AND A SYSTEMIC SERUM SICKNESS-TYPE REACTION HAVE BEEN REPORTED.

용도

antiulcer