5-클로로포마이신A

5-클로로포마이신A · 5-chloroformycin A

식별자 및 물리적 특성

CAS No.	103090-47-7
분자식	C10H12ClN5O4
평균 분자량	301.69 g/mol
단동위원소 질량	301.05778154 g/mol
SMILES	Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey	BIXYYZIIJIXVFW-UUOKFMHZSA-N
PubChem CID	8974
ChEMBL	CHEMBL285819
ChEBI	CHEBI:125640
EC No.	205-678-3
DTXSID	DTXSID301017134
현지명	5-클로로포마이신A

화학 및 물리적 성질

XLogP	-0.1
극성 표면적	140
수소 결합 공여자 수	4
수소 결합 수용자 수	8
회전 가능 결합 수	2
무거운 원자 수	20
형식 전하	0
복잡도	367
용해도	>45.3 [ug/mL] (The mean of the results at pH 7.4)

안전 및 규제

GHS 분류	DangerH302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (40%)

GHS 분류

DangerH302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (40%)