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

Details

Stereochemistry ABSOLUTE
Molecular Formula C39H53N3O9
Molecular Weight 707.8528
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIETASERPINE

SMILES

[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]4([H])N(CCC5=C4N(CCN(CC)CC)C6=CC(OC)=CC=C56)C2

InChI

InChIKey=WFTSRDISOMSAQC-ZNFOTRSXSA-N
InChI=1S/C39H53N3O9/c1-9-40(10-2)15-16-42-29-20-25(45-3)11-12-26(29)27-13-14-41-22-24-19-33(37(49-7)34(39(44)50-8)28(24)21-30(41)35(27)42)51-38(43)23-17-31(46-4)36(48-6)32(18-23)47-5/h11-12,17-18,20,24,28,30,33-34,37H,9-10,13-16,19,21-22H2,1-8H3/t24-,28+,30-,33-,34+,37+/m1/s1

HIDE SMILES / InChI

Molecular Formula C39H53N3O9
Molecular Weight 707.8528
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Bietaserpine is a derivative of a Rauwolfia alkaloid reserpine. It was used as an antihypertensive agent and marketed in the 1960s in France and Italy. Bietaserpine is believed to act by inhibiting VMAT receptors.

Approval Year

Substance Class Chemical
Record UNII
0P5B94FVD5
Record Status Validated (UNII)
Record Version