Basic information
- CAS
79185-75-4- Standard SMILES
COc1c(O)ccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3- InChIKey
UCLGCTLOEZZSLA-UHFFFAOYSA-N- Molecular formula
- C17H11NO8
- Average molar mass
- 357.3 g/mol
- Monoisotopic mass
- 357.04846631
Overview
9-Hydroxy-8-methoxy-6-nitro-phenanthrol[3,4-D][1,3]dioxole-5-carboxylic acid has been reported in Aristolochia kaempferi, Aristolochia heterophylla, and Aristolochia cucurbitifolia with data available.
Names & identifiers
- Preferred name
- 9-Hydroxy-8-Methoxy-6-Nitro-Phenanthrol(3,4-D)(1,3)Dioxole-5-Carboxylic Acid
- IUPAC
- 9-hydroxy-8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
- English name
- 7-Hydroxyaristolochic acid A
- Molecular formula
- C17H11NO8
- Molecular weight
- 357.27
Names & synonyms
9-HYDROXY-8-METHOXY-6-NITRO-PHENANTHROL[3,4-D][1,3]DIOXOLE-5-CARBOXYLIC ACID9-Hydroxy-8-Methoxy-6-Nitro-Phenanthrol(3,4-D)(1,3)Dioxole-5-Carboxylic AcidRefChem:54940079185-75-47-hydroxy aristolochic acid A9-hydroxy aristolochic acid9-hydroxy-8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acidPhenanthro[3,4-d]-1,3-dioxole-5-carboxylicacid, 9-hydroxy-8-methoxy-6-nitro-7-hydroxy aristolochic ACHEMBL6008281fv07-OH aristolochic acid I
Show more names
7-Hydroxyaristolochate ABenzoyl Peroxide Impurity 67-hydeoxyaristolochic acid Amlquwk2ikidgahmc0lak6qee.png7-Hydroxyaristolochic acid I7-Hydroxyaristolochic acid A7-Hydroxyaristolochic acid I-RM7-Hydroxyaristolochic acid A (Standard)ARISTOLOCHIC ACID A, 7-HYDROXY-(SH)(CALL)
orb1684989orb3139262SCHEMBL4557492HY-N2012BDBM50306859MFCD03840549TN10049-hydroxy-8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 580
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 663.7 · 663.7±55.0 °C(Predicted)
- Density
- 1.656 · 1.656±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in DMSO;
- pka
- 2.94 · 2.94±0.20(Predicted)
- form
- powder
- color
- Light yellow
- Water Solubility
- sparingly soluble in water
- Major Application
- food and beverages
- InChI
- 1S/C17H11NO8/c1-24-15-8-4-10(18(22)23)13-9(17(20)21)5-12-16(26-6-25-12)14(13)7(8)2-3-11(15)19/h2-5,19H,6H2,1H3,(H,20,21)
- InChIKey
- UCLGCTLOEZZSLA-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300+H310+H330 (50%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P203, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P318, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H310-H351-H341-H330-H300
- Hazard Classifications
- Acute Tox. 2 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralCarc. 2Muta. 2
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P201-P202-P281-P308+P313-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
Chemistry & industry
Applications
Uses7-Hydroxyaristolochic Acid A is an aristolochic acid extracted from Chinese herb and is a potential hepatoxic compound
Suppliers78 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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