N-(2-Chloroethyl)-N'-beta-D-glucopyranosyl-N-nitrosourea

HCID 9972891CAS 58484-07-4

기본 정보

표준 SMILES
O=NN(CCCl)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
ZOBLZIKVIHJGRN-JAJWTYFOSA-N
분자식
C9H16ClN3O7
평균 분자량
313.69 g/mol

개요

differs from chlorozotocin by placement of cytotoxic group on C-1 of the glucose ring; less myelosuppressive than chlorozotocin; structure

이름 및 식별자

우선 이름
N-(2-Chloroethyl)-N'-beta-D-glucopyranosyl-N-nitrosourea
IUPAC
1-(2-chloroethyl)-1-nitroso-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]urea

이름 및 동의어

GANU58484-07-41-(2-Chloroethyl)-3-(beta-D-glucopyranosyl)-1-nitrosourea1EU50CXT9PNSC-D-254157NSC-254157N-(2-Chloroethyl)-N'-beta-D-glucopyranosyl-N-nitrosoureaRefChem:201976NSC D 254157Urea, N-(2-chloroethyl)-N'-.beta.-D-glucopyranosyl-N-nitroso-UNII-1EU50CXT9P1-(2-Chloroethyl)-3-(.beta.-D-glucopyranosyl)-1-nitrosourea
이름 더 보기
SCHEMBL3341237CHEMBL3228413ZOBLZIKVIHJGRN-JAJWTYFOSA-NDB-2255323-(beta-D-glucopyranosyl)-1-(2-chloroethyl)-1-nitrosourea1-(2-chloroethyl)-3-(beta-d-gluco-pyranosyl)-1-nitrosourea3-(beta-D-glucopyranosyl)-1-(2 -chloroethyl)-1-nitrosoureaUrea, 1-(2-chloroethyl)-3-(beta-D-glucopyranosyl)-1-nitroso-

데이터베이스 식별자

CAS
58484-07-4
PubChem CID
9972891
ChEMBL
CHEMBL3228413
UNII
1EU50CXT9P
Nikkaji
J22.708K

물성

구조 계산 물성

XLogP
-0.7
극성 표면적
152 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
8
회전 가능 결합 수
4
무거운 원자 수
20

관련 반응

5건

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