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| CAS Number | 313-67-7 |
| Catalog Number | AG007JPY(AGN-PC-0JK665) |
| Chemical Name | Aristolochic acid I |
| EC Number | 206-238-3 |
| IUPAC Name | 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid |
| InChI | InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20) |
| InChI Key | BBFQZRXNYIEMAW-UHFFFAOYSA-N |
| MDL Number | MFCD00004996 |
| Molecular Formula | C17H11NO7 |
| Molecular Weight | 341.2717 |
| SMILES | COC=1C=CC=C2C=3C4=C(C=C(C3C(=CC12)[N+](=O)[O-])C(=O)O)OCO4 |
| UNII | 94218WFP5T |
| Synonyms | 8-methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid,
aristolochic acid,
aristolochic acid A,
aristolochic acid I,
aristolochic acid I, sodium salt,
sodium aristolochate,
Tardolyt,
Aristolochic acid,
Aristolochic acid A,
Aristolochic acid I,
313-67-7,
Aristolochin,
Tardolyt,
Birthwort,
Aristolochic acid-I,
ARISTOLOCHINE,
TR 1736,
Aristolochiazaeure,
C17H11NO7,
NSC11926,
NSC-50413,
Aristolochic-acid-A,
UNII-94218WFP5T,
CCRIS 1544,
NSC50413,
EINECS 206-238-3,
NSC 11926,
NSC 50413,
3,4-Methylenedioxy-8-methoxy-10-nitro-1-phenanthrenecarboxylic acid,
8-Methoxy-6-nitrophenanthol (3,4-d) 1,3-dioxole-5-carboxylic acid,
BRN 0345159,
CHEMBL93353,
MLS002702976,
CHEBI:2825,
8-Methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid,
94218WFP5T,
MFCD00004996,
8-Methoxy-3,4-methylendioxxy-10-nitro-1-phenanthrencarbonsaeure,
8-Methoxy-3,4-methylenedioxy-10-nitrophenanthrene-1-carboxylic acid,
Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-,
Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-,
Q-100394,
8-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid,
8-Methoxy-6-Nitrophenanthol-(3,4-d)-1,3-Dioxole-5-Carboxylic Acid,
8-METHOXY-6-NITROPHENANTHROL(3,4-D)-1,3-DIOXIDE-5-CARBOXYLIC ACID,
SMR001562128,
Aristolochic acid 1,
Aristolochic acid, 96%, mixture of I and II,
SR-05000002369,
Aristolochid,
Aristolochind,
Descresepd,
Tardolyd,
Phenanthro[3,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-,
Aristinic acid,
aris-tolochic acid,
Aristolochia yellod,
Spectrum_001156,
SpecPlus_000448,
Spectrum2_000822,
Spectrum3_001114,
Spectrum4_001952,
Spectrum5_000729,
Aristolochic acid A,(S),
ZINC52,
NCIMech_000812,
Aristolochic acid I, powder,
BSPBio_001440,
BSPBio_002848,
KBioGR_000160,
KBioGR_002387,
KBioSS_000160,
KBioSS_001636,
MLS002695974,
DivK1c_006544,
SCHEMBL166284,
SPECTRUM1502233,
SPBio_000743,
AC1L1D86,
DTXSID0040969,
CTK4G6973,
HSDB 7179,
KBio1_001488,
KBio2_000160,
KBio2_001636,
KBio2_002728,
KBio2_004204,
KBio2_005296,
KBio2_006772,
KBio3_000319,
KBio3_000320,
KBio3_002068,
BBFQZRXNYIEMAW-UHFFFAOYSA-N,
Bio1_000418,
Bio1_000907,
Bio1_001396,
Bio2_000160,
Bio2_000640,
HMS1361H22,
HMS1791H22,
HMS1989H22,
HMS3402H22,
HY-N0510,
TNP00273,
8-methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid,
AN-319,
BDBM50306855,
CCG-35796,
CCG-36162,
NSC-11926,
AKOS015896751,
API0000398,
MCULE-3861334509,
IDI1_033910,
NCGC00017334-01,
NCGC00017334-02,
NCGC00017334-03,
NCGC00017334-04,
NCGC00017334-05,
NCGC00017334-06,
NCGC00017334-07,
NCGC00095981-01,
NCGC00095981-02,
NCGC00095981-03,
NCGC00095981-04,
NCGC00095981-05,
AK168151,
CC-24181,
LS-21656,
NCI60_000460,
SC-14173,
ST057179,
AB0028965,
TR-013344,
FT-0602867,
N2032,
ST50307164,
X1086,
C08469,
313A677,
C-20352,
I07-0211,
SR-05000002369-2,
SR-05000002369-3,
A000071790,
8-METHOXY-6-NITROPHENANTHROL(3,4-D)-1,3-DIOXIDE-5-,
Aristolochia, European Pharmacopoeia (EP) Reference Standard,
8-Methoxy-6-nitro-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid,
8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid,
Aristolochic acid I, European Pharmacopoeia (EP) Reference Standard,
8-methoxy-6-nitro-2H-phenanthro[3,4-d]1,3-dioxolene-5-carboxylic acid,
8-methoxy-6-nitro-2H-phenanthro[4,3-d]1,3-dioxolene-5-carboxylic acid,
8-Methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid #,
Phenanthro[3,4-d]-1,3-dioxole-5-carbocylic acid, 8-methoxy-6-nitro-,
Arotinolol,
Aristolochic acids,
Aristolochic acid d,
Sodium aristolochate,
9-hydroxy aristolochic acid,
aristolochic acid I, sodium salt,
CID2236,
C17-H11-N-O7,
ACN-035513,
5-19-07-00611 (Beilstein Handbook Reference),
C000228,
Aristolochic acid, sodium salt (77% AA I, 21% AA II),
8-Methoxy-6-nitro-phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid,
10190-99-5,
68377-92-4,
9AR,
AA,
AAI,
|
| Complexity | 550 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.275g/mol |
| Monoisotopic Mass | 341.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H301-H311-H331-H341-H350 |
| Packing Group | Ⅲ |
| Precautionary statements | P201-P261-P280-P301+P310-P311 |
| UN Code | UN 1544 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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| Test: | Result: |

