((4-페닐부틸)히드록시포스포릴)아세트산

((4-Phenylbutyl)hydroxyphosphoryl)acetic acid

HCID 13102401

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 83623-61-4
표준 SMILES: O=C(O)CP(=O)(O)CCCCc1ccccc1
InChIKey: WRXLMKMDSUIHDK-UHFFFAOYSA-N
분자식: C12H17O4P
평균 분자량: 256.23 g/mol
단동위원소 질량: 256.08644602

이름 및 식별자

우선 이름: ((4-Phenylbutyl)hydroxyphosphoryl)acetic acid
IUPAC: 2-[hydroxy(4-phenylbutyl)phosphoryl]acetic acid
현지명: ((4-페닐부틸)히드록시포스포릴)아세트산
영어명: ((4-Phenylbutyl)hydroxyphosphoryl)acetic acid
분자식: C12H17O4P
분자량: 256.23

이름 및 동의어

((4-Phenylbutyl)hydroxyphosphoryl)acetic acidEC 412-170-72-[Hydroxy(4-phenylbutyl)phosphinyl]acetic acid2-(Hydroxy(4-phenylbutyl)phosphinyl)acetic acidRefChem:390228412-170-783623-61-42-[hydroxy(4-phenylbutyl)phosphoryl]acetic acid4-Phenybutyl 2-Carboxyethylphosphinic Acid (Fosinopril Impurity A)[Hydroxy(4-phenylbutyl)phosphinyl]acetic Acid4-Phenybutyl 2-Carboxyethylphosphinic AcidAC-7633

이름 더 보기

((4-페닐부틸)히드록시포스포릴)아세트산Fosinopril Impurity AFosinopril Sodium Impurity 15HYDROXYL(4-PHENYLBUTYL)PJOSPHINYL]ACETIC ACIDHYDROXYL(4-PHENYLBUTYL)PHOSPHINYL]ACETIC ACID[Hydroxy(4-phenylbutyl)phosphinyl]-acetic acidHydroxy(4-phenylbutyl)phosphinoylacetatic acid(4-Phenylbutyl)phosphinyl acetic acid sodium salt

JZ6U8XS6PAAcetic acid, 2-[hydroxy(4-phenylbutyl)phosphinyl]-SCHEMBL7379076DTXSID90518220AKOS015967055IP26897Hydroxyl(4-phenylbutyl)phosphinyl]aceticacidNS00008505

데이터베이스 식별자

CAS: 83623-61-4
PubChem CID: 13102401
DTXSID: DTXSID90518220
UNII: JZ6U8XS6PA
EC Number: 412-170-7、809-489-2

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 74.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 17
형식 전하: 0
복잡도: 284

물리화학적 성질

밀도: 1.252 · 1.252
저장 조건: 2 · 2-8°C
물리적 상태: powder
주요 응용: 의약품(소분자)
InChI: 1S/C12H17O4P/c13-12(14)10-17(15,16)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,13,14)(H,15,16)
InChIKey: WRXLMKMDSUIHDK-UHFFFAOYSA-N
SMILES: [P](=O)(O)(CCCCc1ccccc1)CC(=O)O

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]；H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P319, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Danger