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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO5
Molecular Weight 319.3523
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUPHANITINE

SMILES

[H][C@@]12C[C@@H](O)C[C@@H](O)[C@]13CC[N@]2CC4=C(OC)C5=C(OCO5)C=C34

InChI

InChIKey=KCNHESDRNJNLEV-PGCOIXJOSA-N
InChI=1S/C17H21NO5/c1-21-15-10-7-18-3-2-17(13(18)4-9(19)5-14(17)20)11(10)6-12-16(15)23-8-22-12/h6,9,13-14,19-20H,2-5,7-8H2,1H3/t9-,13-,14-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H21NO5
Molecular Weight 319.3523
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:00:05 GMT 2023
Edited
by admin
on Sat Dec 16 10:00:05 GMT 2023
Record UNII
XSJ47I6XY2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUPHANITINE
MI  
Common Name English
NERBOWDIN
Common Name English
1H,6H-5,11B-ETHANO(1,3)DIOXOLO(4,5-J)PHENANTHRIDINE-1,3-DIOL, 2,3,4,4A-TETRAHYDRO-7-METHOXY-, (1R,3R,4AR,5S,11BS)-
Systematic Name English
NSC-358673
Code English
7-METHOXYCRINAN-1.ALPHA.,3.ALPHA.-DIOL
Common Name English
1H,6H-5,11B-ETHANO(1,3)DIOXOLO(4,5-J)PHENANTHRIDINE-1,3-DIOL, 2,3,4,4A-TETRAHYDRO-7-METHOXY-, (1R-(1.ALPHA.,3.ALPHA.,4A.ALPHA.,5.BETA.,11B.BETA.))-
Systematic Name English
HEMANTHINE
Common Name English
BUPHANITINE [MI]
Common Name English
Code System Code Type Description
CAS
4673-18-1
Created by admin on Sat Dec 16 10:00:05 GMT 2023 , Edited by admin on Sat Dec 16 10:00:05 GMT 2023
PRIMARY
MERCK INDEX
m2767
Created by admin on Sat Dec 16 10:00:05 GMT 2023 , Edited by admin on Sat Dec 16 10:00:05 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID50320366
Created by admin on Sat Dec 16 10:00:05 GMT 2023 , Edited by admin on Sat Dec 16 10:00:05 GMT 2023
PRIMARY
NSC
358673
Created by admin on Sat Dec 16 10:00:05 GMT 2023 , Edited by admin on Sat Dec 16 10:00:05 GMT 2023
PRIMARY
PUBCHEM
338026
Created by admin on Sat Dec 16 10:00:05 GMT 2023 , Edited by admin on Sat Dec 16 10:00:05 GMT 2023
PRIMARY
FDA UNII
XSJ47I6XY2
Created by admin on Sat Dec 16 10:00:05 GMT 2023 , Edited by admin on Sat Dec 16 10:00:05 GMT 2023
PRIMARY