Monomethyl auristatin E intermediate-9

HCID 10249994CAS 120205-58-5

기본 정보

표준 SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)OCc1ccccc1
InChIKey: PCUHBNWYHLQSBO-HQRMLTQVSA-N
분자식: C22H35NO5
평균 분자량: 393.5 g/mol

이름 및 식별자

우선 이름: Monomethyl auristatin E intermediate-9
IUPAC: tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl(phenylmethoxycarbonyl)amino]heptanoate

이름 및 동의어

Monomethyl auristatin E intermediate-9120205-58-5(3R,4S,5S)-tert-butyl 4-(((benzyloxy)carbonyl)(methyl)amino)-3-methoxy-5-methylheptanoatetert-Butyl (3R,4S,5S)-4-(((benzyloxy)carbonyl)(methyl)amino)-3-methoxy-5-methylheptanoatetert-butyl (3R,4S,5S)-4-{[(benzyloxy)carbonyl](methyl)amino}-3-methoxy-5-methylheptanoateSCHEMBL17480086HY-78903CS-0009820G76842F551618tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl(phenylmethoxycarbonyl)amino]heptanoate

데이터베이스 식별자

CAS: 120205-58-5
PubChem CID: 10249994
EC Number: 808-462-2

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 65.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 12
무거운 원자 수: 28
형식 전하: 0
복잡도: 482

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

연결된 노트

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