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| CAS Number | 518-34-3 |
| Catalog Number | AG00390G(AGN-PC-0SBEFW) |
| Chemical Name | (+)-TETRANDRINE |
| IUPAC Name | (1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene |
| InChI | InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1 |
| InChI Key | WVTKBKWTSCPRNU-KYJUHHDHSA-N |
| MDL Number | MFCD08689909 |
| Molecular Formula | C38H42N2O6 |
| Molecular Weight | 622.7499 |
| SMILES | O(C)C1=C2C=3[C@](CC=4C=C(C(OC)=CC4)OC=5C=CC(C[C@]6(C7=CC(O2)=C(OC)C=C7CCN6C)[H])=CC5)(N(C)CCC3C=C1OC)[H] |
| UNII | 29EX23D5AJ |
| Synonyms | 6,6',7,12-tetramethoxy-2,2'-dimethyl-1 beta-berbaman,
d-tetrandrine,
hanjisong,
isotetrandrine,
isotetrandrine dihydrochloride,
NSC-77037,
tetradrine,
tetrandrine,
tetrandrine dihydrochloride, (1beta)-isomer,
tetrandrine, (1'beta)-isomer,
tetrandrine,
518-34-3,
D-Tetrandrine,
Fanchinine,
Tetrandrin,
(+)-Tetrandrine,
Sinomenine A,
Hanfangchin A,
hanjisong,
DL-Tetrandine,
(S,S)-Tetrandrine,
NSC 77037,
(S,S)-(+)-Tetrandrine,
(+-)-Tetrandine,
NSC-77037,
d-Tetrandr,
UNII-29EX23D5AJ,
CCRIS 2705,
S-(+)-Tetrandrine,
Tetrandrine(Fanchinine),
NSC77037,
NSC91771,
23495-89-8,
CHEBI:49,
BRN 0877811,
MLS002153946,
29EX23D5AJ,
SMR000445630,
(1beta)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman,
tetradrine,
C38H42N2O6,
iso-tetrandrine,
Berbaman, 6,6',7,12-tetramethoxy-2,2'-dimethyl-, (1beta)-,
(11S,31S)-16,36,37,54-tetramethoxy-12,32-dimethyl-11,12,13,14,31,32,33,34-octahydro-2,6-dioxa-1(7,1),3(8,1)-diisoquinolina-5(1,3),7(1,4)-dibenzenacyclooctaphane,
tetramethoxy(dimethyl)[?],
SR-01000779899,
TETRANDRINE, (DL),
DL-Tetandrine,
Tetrandrine,(S),
NSC 91771,
(+/-)-Tetrandine,
Tetrandrine-Fanchinine,
Spectrum_000315,
(.+-.)-Tetrandrine,
SpecPlus_000661,
S,S-(+)-Tetrandrine,
Tetrandrine (Fanchinine),
Tetrandrine - Fanchinine,
Prestwick0_000670,
Prestwick1_000670,
Prestwick2_000670,
Prestwick3_000670,
Spectrum2_000025,
Spectrum3_000659,
Spectrum4_000619,
Spectrum5_001366,
AC1Q58EO,
(1.beta.)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman,
CBiol_001914,
SCHEMBL20119,
BSPBio_000739,
BSPBio_001479,
BSPBio_002297,
KBioGR_000199,
KBioGR_001178,
KBioSS_000199,
KBioSS_000795,
2-27-00-00889 (Beilstein Handbook Reference),
MLS000728516,
DivK1c_006757,
SPECTRUM1504185,
SPBio_000089,
SPBio_002660,
AC1L2J88,
BPBio1_000813,
CHEMBL176045,
6,6',7,12-tetramethoxy-2,2'-dimethyl-1 beta-berbaman,
KBio1_001701,
KBio2_000199,
KBio2_000795,
KBio2_002767,
KBio2_003363,
KBio2_005335,
KBio2_005931,
KBio3_000397,
KBio3_000398,
KBio3_001517,
BRD8237,
DTXSID10178062,
WVTKBKWTSCPRNU-KYJUHHDHSA-N,
Bio1_000200,
Bio1_000689,
Bio1_001178,
Bio2_000199,
Bio2_000679,
HMS1361J21,
HMS1570E21,
HMS1791J21,
HMS1989J21,
HMS2097E21,
HMS2232C06,
HMS3402J21,
477-57-6,
BRD-8237,
BBL029400,
CCG-38342,
HSCI1_000014,
MFCD08689909,
NSC-91771,
STK801908,
ZINC28116057,
AKOS004119881,
Berbaman, 6,6',7,12-trtramethoxy-2,2'-dimethyl-, (1beta)-(PM)- (9CI),
AC-7987,
AN-8470,
FF-0019,
MCULE-2548279289,
SDCCGMLS-0066758.P001,
IDI1_033949,
NCGC00017376-02,
NCGC00017376-03,
NCGC00017376-04,
NCGC00017376-05,
NCGC00017376-06,
NCGC00017376-10,
NCGC00142549-01,
NCGC00142549-02,
NCGC00142549-03,
NCGC00142549-04,
NCGC00182717-01,
AS-15343,
HY-13764,
NCI60_041696,
NCI60_042029,
O972,
SC-14047,
ST057602,
BCP0726000284,
AB0016761,
LS-148949,
AB00513883,
CS-0007782,
S2403,
C09654,
W-2768,
518T343,
Q-100580,
SR-01000779899-5,
SR-01000779899-6,
SR-01000779899-7,
SR-01000779899-9,
Tetrandrine, analytical standard, for drug analysis,
BRD-K08078237-001-07-3,
BRD-K08078237-001-13-1,
Tetrandrine, European Pharmacopoeia (EP) Reference Standard,
Berbaman,6',7,12-tetramethoxy-2,2'-dimethyl-, (1.beta.)-,
Berbaman, 6,6',7,12-tetramethoxy-2,2'-dimethyl-, (1-beta)-,
Berbaman,6',7,12-trtramethoxy-2,2'-dimethyl-, (1.beta.)-(PM)-,
Berbaman, 6,6',7,12-trtramethoxy-2,2'-dimethyl-, (1beta)-(+-)-,
Berbaman, 6,6',7,12-trtramethoxy-2,2'-dimethyl-, (1beta)-(PM)-,
(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyc lo[22.6.2.2<3,6>.1<8,12>.1<14,18>.0<22,36>.0<27,31>]hexatriaconta-3(33),4,6(34 ),8(35),9,11,18(36),19,21,24,26,31-dodecae,
(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyc lo[22.6.2.2<3,6>.1<8,12>.1<14,18>.0<22,36>.0<27,31>]hexatriaconta-3(33),4,6(34 ),8(35),9,11,18(36),19,21,24,26,31-dodecaene,
(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{3,6}.1^{8,12}.1^{14,18}.0^{27,31}.0^{22,33}]hexatriaconta-3,5,8(34),9,11,18,20,22(33),24,26,31,35-dodecaene,
16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,4,4a,5,16a,17,18,19-octahydro-12,21,22,26-tetramethoxy-4,17-dimethyl-, (4aS,16aS)-,
Isotetrandrine,
Sinomenine,
Selenophene 6,
Tranex-18,
D0AN2Q,
D0G4ES,
Tetrandrine, Millenia Hope,
isotetrandrine dihydrochloride,
tetrandrine, (1'beta)-isomer,
CID73078,
AR-1J2838,
CA-260,
Tetrandrine, West Virginia University,
C38-H42-N2-O6,
ACN-035405,
tetrandrine dihydrochloride, (1beta)-isomer,
T3321,
A13411,
C009438,
(1-beta)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman,
Tetrandrine, 98%, from fourstamen stephania root - 100MG 100mg,
Berbaman, 6,6',7,12-trtramethoxy-2,2'-dimethyl-, (1.beta.)-(PM)-,
TTD,
2397-77-5,
NE,
|
| Complexity | 979 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 622.304g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 46 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 622.762g/mol |
| Monoisotopic Mass | 622.304g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.4 |
| Symbol: | |
| Hazard statements | H302 |
| Precuationary statements | P280-P305+P351+P338 |
| Siginal words | |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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| Test: | Result: |

