Chem
J-GLOBAL ID:200907083438719159
Nikkaji number:J7.049A
Nicomorphine
ニコモルフィン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C29 H25 N3 O5
Molecular formula furigana:
C29-H25-N3-O5
Molecular weight:
495.535
InChI:
InChI=1S/C29H25N3O5/c1-32-13-10-29-20-7-9-23(36-28(34)19-5-3-12-31-16-19)26(29)37-25-22(8-6-17(24(25)29)14-21(20)32)35-27(33)18-4-2-11-30-15-18/h2-9,11-12,15-16,20-21,23,26H,10,13-14H2,1H3/t20-,21+,23-,26-,29-/m0/s1
InChI key:
HNDXBGYRMHRUFN-CIVUWBIHSA-N
SMILES:
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC(=O)c1cccnc1)ccc5OC(=O)c1cccnc1
Systematic name (3):
7,8-ジデヒドロ-4,5α-エポキシ-17-メチルモルフィナン-3,6α-ジオールビス(3-ピリジンカルボキシラート)
(1S,5R,13R,14S,17R)-4-メチル-10-(ピリジン-3-カルボニルオキシ)-12-オキサ-4-アザペンタシクロ[9.6.1.01,13 .05,17 .07,18 ]オクタデカ-7,9,11(18),15-テトラエン-14-イル ピリジン-3-カルボキシラート
(1S,5R,13R,14S,17R)-4-methyl-10-(pyridine-3-carbonyloxy)-12-oxa-4-azapentacyclo[9.6.1.01,13 .05,17 .07,18 ]octadeca-7,9,11(18),15-tetraen-14-yl pyridine-3-carboxylate
Other name (8):
ニコモルフィン
Nicomorphine
7,8-Didehydro-4,5α-epoxy-17-methylmorphinan-3,6α-diol bis(3-pyridinecarboxylate)
モルフィンジニコチナート
Morphine dinicotinate
モルフィンジニコチン酸エステル
3,6-ジニコチノイルモルフィン
3,6-Dinicotinoylmorphine
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CAS registry number:
639-48-5
Regulation number (1):
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