벤질(2S,5R)-5-[(벤질옥시)아미노]피페리딘-2-카르복실레이트에탄디오에이트

Benzyl (2S,5R)-5-((benzyloxy)amino)piperidine-2-carboxylate oxalate

HCID 70673933
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기본 정보

CAS
1171080-45-7
표준 SMILES
O=C(O)C(=O)O.O=C(OCc1ccccc1)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1
InChIKey
AMOSSTKBTVKFNW-VOMIJIAVSA-N
분자식
C22H26N2O7
평균 분자량
430.5 g/mol
단동위원소 질량
430.17400117

이름 및 식별자

우선 이름
Benzyl (2S,5R)-5-((benzyloxy)amino)piperidine-2-carboxylate oxalate
IUPAC
benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid
현지명
벤질(2S,5R)-5-[(벤질옥시)아미노]피페리딘-2-카르복실레이트에탄디오에이트
영어명
Benzyl (2S,5R)-5-[(benzyloxy)amino]piperidine-2-carboxylate ethanedioate
분자식
C22H26N2O7
분자량
430.46

이름 및 동의어

2-Piperidinecarboxylic acid, 5-[(phenylmethoxy)amino]-, phenylmethyl ester, (2S,5R)-, ethanedioate (1:1)BENZYL (2S,5R)-5-((BENZYLOXY)AMINO)PIPERIDINE-2-CARBOXYLATE OXALATE2-Piperidinecarboxylic acid, 5-((phenylmethoxy)amino)-, phenylmethyl ester, (2S,5R)-, ethanedioate (1:1)RefChem:566529810-636-81171080-45-7(2S,5R)-Benzyl 5-((benzyloxy)amino)piperidine-2-carboxylate oxalateMFCD29472311benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acidbenzyl (2S,5R)-5-[(benzyloxy)amino]piperidine-2-carboxylate ethanedioate(2S,5R)-5-benzyloxyaminopiperidin-2-carboxylic acid benzyl ester oxalic acid saltSCHEMBL15309424
이름 더 보기
벤질(2S,5R)-5-[(벤질옥시)아미노]피페리딘-2-카르복실레이트에탄디오에이트Avibatan intermediateDifethialone Impurity 3Avibactam Intermediate 3(2S,5R)-5-[(benzyloxy)amino]piperidine-2-carboxylic acid ben...benzyl(2S,5R)-5-((benzyloxy)amino)piperdine-2-carboxylate oxalatebenzyl(2S,5R)-5-((benzyloxy)amino)piperidine-2-carboxylateoxalate(2S, 5R) -5-[(benzoxy) amino] piperidine-2-benzyl carboxylate, edioate(2S,5R)-5-Benzyloxyamino-piperidine-2-carboxylic acid benzyl ester oxalate
EX-A2293BAMOSSTKBTVKFNW-VOMIJIAVSA-NDTXSID701378982CS-M3164AKOS030524181AT10876DS-19729SY395531

데이터베이스 식별자

CAS
1171080-45-7
PubChem CID
70673933
DTXSID
DTXSID701378982
EC Number
810-636-8

물성

구조 계산 물성

극성 표면적
134 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
9
회전 가능 결합 수
9
무거운 원자 수
31

물리화학적 성질

저장 조건
Inert atmosphere,Room Temperature
InChIKey
AMOSSTKBTVKFNW-DSCXOBNPNA-N
SMILES
C(=O)(O)C(=O)O.C([C@H]1NC[C@H](NOCC2C=CC=CC=2)CC1)(=O)OCC1C=CC=CC=1 |&1:7,10,r|

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H411 (25%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

유해성 정보

Regulatory InformationStatus: Active Update: 24-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18945
Hazard Classes and CategoriesEye Dam. 1 (100%)；Aquatic Chronic 2 (25%)

규제 정보

Regulatory InformationStatus: Active Update: 24-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18945

안전 데이터

신호 어
Danger
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H225

화학 및 산업

응용 분야

용도(2S,5R)-Benzyl 5-((benzyloxy)amino)piperidine-2-carboxylate Oxalate is used as a reactant in the synthesis of Avibactam.

상·하류 제품 정보

공급사80 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]

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