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5-Methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene

HCID 1207
NotesReactions

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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
70449-94-4
Standard SMILES
CC12NC(Cc3ccccc31)c1ccccc12
InChIKey
LBOJYSIDWZQNJS-UHFFFAOYSA-N
Molecular formula
C16H15N
Average molar mass
221.303 g/mol
Monoisotopic mass
221.12044948

Names & identifiers

Preferred name
5-Methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene
IUPAC
5-Methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene
English name
10,11-dihydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine
Molecular formula
C16H15N
Molecular weight
221.3

Names & synonyms

(+)-MK 801">cyclohepten-5,10-imine,DIZOCILPINE5-Methyl-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imine10,11-dihydro-5-methyl-5H-dibenzo[a,d]cyclohepten-5,10-imine5-Methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene5H-Dibenzo[a,d]cyclohepten-5,10-imine, 10,11-dihydro-5-methyl-5-Methyl-5,11-epimino-10,11-dihydro-5H-dibenzo[a,d]cyclohepteneDizocilpinum,Dizocilpina,10,11-dihydro-5-methyl-5H-dibenzocyclohepten-5,10-imine,DIZOCILPINE

Database identifiers

CAS
70449-94-4
PubChem CID
1207
DTXSID
DTXSID30860997
ChEMBL
CHEMBL442137
EC Number
274-609-7
Nikkaji
J273.655A、J403.263B

Properties

Physicochemical properties

Boiling point
320.3 · 320.3±11.0 °C(Predicted)
Density
1.144 · 1.144±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Store at -20°C
solubility
2 O; · insoluble in H2O; ≥10.45 mg/mL in DMSO; ≥102.6 mg/mL in EtOH
form
oil
pka
7.96 · 7.96±0.40(Predicted)
color
brown
InChI
InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3
InChIKey
LBOJYSIDWZQNJS-UHFFFAOYSA-N
SMILES
C12=CC=CC=C1C1(C)NC(C2)C2=CC=CC=C12

Chemistry & industry

Applications

Uses(Rac)-Dizocilpine ((Rac)-MK-801) is the racemate of Dizocilpine (HY-15084B). Dizocilpine (MK-801), a potent anticonvulsant, is a selective and non-competitive N-methyl-D-aspartate (NMDA) receptor antagonist[1].

Suppliers14 total

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
欧利希(湖北)医药科技有限公司17316404525 17316404525 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
TargetMol 中国(陶术生物)400-821-0310 15002144251 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
上海鑫科泰生物科技有限公司18043446684 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海超岚化工科技中心QQ:65489617 13301690235 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
长沙福臻生物科技有限公司15111215862 18229892877 · [email protected]

Related reactions

1 records
New reaction record
HRID 1646093 reaction equation
HRID 1646093As reactantuspto-grants-1993_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
上海陌孚医药科技有限公司
4000862158 18117107507 · [email protected]
ANHUI BYERSEN BIOTECH CO. LTD+86-15385096007 +86-17755058861 · [email protected]
河南伊诺凯新材料有限公司15090072163 · [email protected]