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

Details

Stereochemistry ABSOLUTE
Molecular Formula C37H49N3O5S
Molecular Weight 647.867
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IPROTIAZEM

SMILES

COC1=CC(CCN2CCN(CCCCOC3=CC=CC=C3[C@]4(SC5=CC=CC=C5N(C)C4=O)C(C)C)CC2)=CC(OC)=C1OC

InChI

InChIKey=JSLZUBLGGPEVQN-DIPNUNPCSA-N
InChI=1S/C37H49N3O5S/c1-27(2)37(36(41)38(3)30-14-8-10-16-34(30)46-37)29-13-7-9-15-31(29)45-24-12-11-18-39-20-22-40(23-21-39)19-17-28-25-32(42-4)35(44-6)33(26-28)43-5/h7-10,13-16,25-27H,11-12,17-24H2,1-6H3/t37-/m1/s1

HIDE SMILES / InChI

Molecular Formula C37H49N3O5S
Molecular Weight 647.867
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

IPROTIAZEM is a vasodilator.

Approval Year

Substance Class Chemical
Record UNII
3VPX99Q2D7
Record Status Validated (UNII)
Record Version