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AG00DDYO
477-30-5 | Demecolcine
AG00DDYO
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| CAS Number | 477-30-5 |
| Catalog Number | AG00DDYO(AGN-PC-0RVX6L) |
| Chemical Name | Demecolcine |
| EC Number | 207-514-6 |
| IUPAC Name | (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one |
| InChI | InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1 |
| InChI Key | NNJPGOLRFBJNIW-HNNXBMFYSA-N |
| MDL Number | MFCD00075459 |
| Molecular Formula | C21H25NO5 |
| Molecular Weight | 371.4269 |
| SMILES | COC1=C(C(CC[C@H](NC)C2=CC3=O)=CC(OC)=C1OC)C2=CC=C3OC |
| UNII | Z01IVE25KI |
| Synonyms | Colcemid,
Colcemide,
Colchamine,
Demecolcine,
Demecolcine, (+-)-Isomer,
Demecolcine,
colcemid,
477-30-5,
Colchamine,
Demecolcin,
(-)-Demecolcine,
Reichstein's F,
Colcemide,
Desmecolcine,
Substance F,
Santavy's substance F,
(-)-Colchamine,
Kolchamin,
Kolkamin,
Omain,
Omaine,
Methylcolchicine,
N-Deacetyl-N-methylcolchicine,
N-Methyl-N-deacetylcolchicine,
Deacetylmethylcolchicine,
N-Desacetyl-N-methylcolchicine,
N-Methyl-N-desacetylcolchicine,
Desacetylmethylcolchicine,
Demecolcina,
Demecolcinum,
Deacetyl-N-methylcolchicine,
Kolchicin,
Kolchicin [Czech],
N-Desacetylmethylcolchicine,
Colchicine, N-deacetyl-N-methyl-,
Colchamin,
Alkaloid H 3, from colchicum antumnale,
Demecolcinum [INN-Latin],
UNII-Z01IVE25KI,
Ciba 12669A,
Demecolcina [INN-Spanish],
Colchicine, 7-deacetamido-7-(methylamino)-,
X 153,
Demecolcine [INN:BAN:DCF],
CCRIS 2764,
C-12669,
C21H25NO5,
(7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one,
NSC 3096,
EINECS 207-514-6,
BRN 2822892,
Z01IVE25KI,
Ciba 12669 A,
CHEBI:4393,
CHEMBL312862,
Colchicine, deacetyl-N-methyl-,
NSC-3096,
MFCD00075459,
(7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one,
(S)-1,2,3,10-Tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one,
Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (S)-,
6,7-Dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-benzo(alpha)heptalen-9(5H)-one,
Demicolcine,
(7S)-7-(methylamino)-1,2,3,10-tetrakis(methyloxy)-6,7-dihydrobenzo[a]heptalen-9(5H)-one,
SMR000058249,
WLN: L B677 MV&T&J CO1 DO1 EO1 JM1 NO1,
NSC3096,
Desmecolchine,
Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (S)-,
Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (S)-,
NCGC00166035-01,
Alkaloid H 3,
DSSTox_CID_342,
AC1L58QT,
SCHEMBL8161,
DSSTox_RID_75525,
DSSTox_GSID_20342,
MLS001332501,
MLS001332502,
MLS002695919,
Colcemid™ EUO masculine,
Colchine, N-deacetyl-N-methyl,
AC1Q698C,
cid_220401,
DTXSID7020342,
BCBcMAP01_000022,
CTK5B3083,
Demecolcine, >=98% (HPLC),
6,7-Dihydro-1,2,3,10-Tetramethoxy-7-(Methylamino) Benzo (alpha) Heptalen-9(5H)-one,
NNJPGOLRFBJNIW-HNNXBMFYSA-N,
HMS2230L17,
ZINC3872132,
Tox21_112296,
ACM477305,
BDBM50014872,
NSC403147,
AKOS002141248,
N-Deacetyl-N-methylcolchicine solution,
API0002097,
KS-5002,
LS-7285,
MCULE-5448914877,
NSC-403147,
SMP1_000076,
Colcemid, N-methyl-N-deacetyl-colchicine,
NCGC00166035-02,
CAS-477-30-5,
CC-26333,
ST057181,
AB0019718,
FT-0603112,
V0182,
477D305,
A827317,
C-21160,
N-INOOo pound-N-(1/4)x>>uCiE(R)IE(1/4)i,
SR-01000841244,
Demecolcine, >=98.0% (sum of enantiomers, HPLC),
SR-01000841244-3,
BRD-K38624570-001-10-7,
N-INOOo pound-N-(1/4)x>>uCiE(R)IE(1/4)i EUO masculine,
Demecolcine solution, 10 mug/mL in HBSS, ACF Qualified, BioXtra,
6,2,3,10-tetramethoxy-7-(methylamino)-benzo[.alpha.]heptalen-9(5H)-one,
Demecolcine, Hybri-Max(TM), powder, gamma-irradiated, hybridoma tested,
(7S)-1,2,3,10-tetramethoxy-7-(methylamino)-5,6,7-trihydrobenzo[a]heptalen-9-on e,
(S)-1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one,
(S)-6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)benzo[a]heptalen-9(5H)-one,
1,2,3,10-Tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one #,
1,2,3,10-Tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one,
1,2,3,10-Tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[a]heptalen-9-one (Demecolcine),
6,7-Dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-benzo(a)heptalen-9(5H)-one,
Isoquinoline,3,4-dihydro-6,7-dimethoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-,
LON,
Compound F,
N-Methyldemecolcine,
Demecolcine, (+-)-Isomer,
Demecolcine [BAN:DCF:INN],
N-de-nu-acetyl-N-methylcolchicine,
KST-1A7330,
AR-1A7155,
C21-H25-N-O5,
CID220401,
ACN-035569,
4-14-00-00940 (Beilstein Handbook Reference),
D003703,
66569-05-9,
(7S)-6,7-Dihydro-1,2,3,10-tetramethoxy-7-(methylamino)benzo[a]heptalen-9(5H)-one,
Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (7S)-,
61349-11-9,
|
| Complexity | 653 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.433g/mol |
| Monoisotopic Mass | 371.173g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
| Hazard statements | H300 |
| Precuationary statements | P264-P301+P310 |
| Siginal words | |
Certificate of Analysis
Lot Number
Product Recommendations
CERTIFICATE OF ANALYSIS
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| Chemical Structure: | CAS Registry No: | |
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Analysis Data:
| Test: | Result: |
Conclusion: The above product meets the specifications of Angene.
Analyst:Chase
Date:
Reviewed by:Jessie
Date:
Angene International Limited