Sergliflozin

HCID 10177526

노트 반응

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기본 정보

CAS: 360775-96-8
표준 SMILES: COc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIKey: HFLCZNNDZKKXCS-OUUBHVDSSA-N
분자식: C20H24O7
평균 분자량: 376.4 g/mol

개요

a hypoglycemic agent that inhibits SGLT2 sodium-glucose transporter; structure in first source

이름 및 식별자

우선 이름: Sergliflozin
IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4,5-triol
영어명: 2-Hydroxymethyl-6-[2-(4-methoxy-benzyl)-phenoxy]-tetrahydro-pyran-3,4,5-triol
분자식: C20H24O7
분자량: 376.4

이름 및 동의어

SERGLIFLOZIN A360775-96-8AR34521QFLbeta-D-Glucopyranoside, 2-((4-methoxyphenyl)methyl)phenylRefChem:931627DTXCID60112153DTXSID00189662ethyl ((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-((4-methoxyphenyl)methyl)phenoxy)oxan-2-yl)methyl carbonateSergliflozinCHEMBL2707662-Hydroxymethyl-6-[2-(4-methoxy-benzyl)-phenoxy]-tetrahydro-pyran-3,4,5-triolUNII-AR34521QFL

이름 더 보기

β-D-Glucopyranoside, 2-[(4-methoxyphenyl)methyl]phenyl

O-glucoside, 4a2-(4-methoxybenzyl)phenyl beta-D-glucopyranosideSERGLIFLOZIN [WHO-DD]orb1819133SCHEMBL2574820BDBM20878HFLCZNNDZKKXCS-OUUBHVDSSA-N(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{2-[(4-methoxyphenyl)methyl]phenoxy}oxane-3,4,5-triol

데이터베이스 식별자

CAS: 360775-96-8
PubChem CID: 10177526
ChEMBL: CHEMBL270766
UNII: AR34521QFL
Nikkaji: J3.551.075C

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 109 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 7
회전 가능 결합 수: 6
무거운 원자 수: 27
형식 전하: 0
복잡도: 440

물리화학적 성질

녹는점: 94.8 · 94.8-95.5 °C
끓는 점: 590.7 · 590.7±50.0 °C(Predicted)
밀도: 1.344 · 1.344±0.06 g/cm3(Predicted)
용해도: 0.1 · Acetonitrile: Slightly Soluble: 0.1-1 mg/mlDMSO: Sparingly Soluble: 1-10 mg/ml
산도 계수 (pKa): 12.82 · 12.82±0.70(Predicted)