Chem
J-GLOBAL ID:200907000562470735
Nikkaji number:J66.312C
α-Isomorphine
α-イソモルフィン
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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:
C17 H19 NO3
Molecular formula furigana:
C17-H19-N-O3
Molecular weight:
285.343
InChI:
InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13+,16-,17-/m0/s1
InChI key:
BQJCRHHNABKAKU-NOSXKOESSA-N
SMILES:
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@H]4O)ccc5O
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-3,6β-ジオール
(1S,5R,13R,14R,17R)-4-メチル-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-10,14-ジオール
(1S,5R,13R,14R,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13 .05,17 .07,18 ]octadeca-7,9,11(18),15-tetraene-10,14-diol
Other name (5):
α-イソモルフィン
6-イソモルフィン
α-Isomorphine
6-Isomorphine
7,8-Didehydro-4,5α-epoxy-17-methylmorphinan-3,6β-diol
CAS registry number:
143-70-4
Regulation number (2):
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