U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H33N3O5
Molecular Weight 467.5573
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOPIAMINE B

SMILES

[H][C@]12CCCN1C[C@@]3(C[C@@]4(C(=O)N5C6=C(C(=O)CC5(C)C)C(OC)=CC=C46)C(C)(C)[C@]3([H])C2)[N+]([O-])=O

InChI

InChIKey=LUESCPPTDJZZQN-DCWDXPITSA-N
InChI=1S/C26H33N3O5/c1-23(2)12-17(30)20-18(34-5)9-8-16-21(20)28(23)22(31)26(16)13-25(29(32)33)14-27-10-6-7-15(27)11-19(25)24(26,3)4/h8-9,15,19H,6-7,10-14H2,1-5H3/t15-,19+,25-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H33N3O5
Molecular Weight 467.5573
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:52:04 GMT 2023
Edited
by admin
on Sat Dec 16 12:52:04 GMT 2023
Record UNII
KOK79DO2R2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOPIAMINE B
Common Name English
SPIRO(1H-CYCLOPENT(F)INDOLIZINE-7(5H),1'(2'H)-(6H)PYRROLO(3,2,1-IJ)QUINOLINE)-2',6'-DIONE, 2,3,4',5',5A,6,8,8A,9,9A-DECAHYDRO-7'-METHOXY-4',4',8,8-TETRAMETHYL-5A-NITRO-, (1'R,5AS,8AS,9AR)-
Systematic Name English
SPIRO(1H-CYCLOPENT(F)INDOLIZINE-7(5H),1'(2'H)-(6H)PYRROLO(3,2,1-IJ)QUINOLINE)-2',6'-DIONE, 2,3,4',5',5A,6,8,8A,9,9A-DECAHYDRO-7'-METHOXY-4',4',8,8-TETRAMETHYL-5A-NITRO-, (5A.ALPHA.,7.ALPHA.,8A.ALPHA.,9A.BETA.)-
Systematic Name English
NSC-333065
Code English
22-EPI-CYCLOPIAMINE A
Common Name English
Code System Code Type Description
NSC
333065
Created by admin on Sat Dec 16 12:52:04 GMT 2023 , Edited by admin on Sat Dec 16 12:52:04 GMT 2023
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FDA UNII
KOK79DO2R2
Created by admin on Sat Dec 16 12:52:04 GMT 2023 , Edited by admin on Sat Dec 16 12:52:04 GMT 2023
PRIMARY
PUBCHEM
11969569
Created by admin on Sat Dec 16 12:52:04 GMT 2023 , Edited by admin on Sat Dec 16 12:52:04 GMT 2023
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CAS
72401-58-2
Created by admin on Sat Dec 16 12:52:04 GMT 2023 , Edited by admin on Sat Dec 16 12:52:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID50474934
Created by admin on Sat Dec 16 12:52:04 GMT 2023 , Edited by admin on Sat Dec 16 12:52:04 GMT 2023
PRIMARY