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

Details

Stereochemistry ABSOLUTE
Molecular Formula C42H68N2O2
Molecular Weight 633.0015
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of MEBOLAZINE

SMILES

[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C\C([C@H](C)C[C@]34C)=N/N=C5\C[C@]6([H])CC[C@@]7([H])[C@]8([H])CC[C@](C)(O)[C@@]8(C)CC[C@]7([H])[C@@]6(C)C[C@H]5C

InChI

InChIKey=POPWFGNRCCUJGU-RSSVFQIBSA-N
InChI=1S/C42H68N2O2/c1-25-23-37(3)27(9-11-29-31(37)13-17-39(5)33(29)15-19-41(39,7)45)21-35(25)43-44-36-22-28-10-12-30-32(38(28,4)24-26(36)2)14-18-40(6)34(30)16-20-42(40,8)46/h25-34,45-46H,9-24H2,1-8H3/b43-35+,44-36+/t25-,26-,27+,28+,29-,30-,31+,32+,33+,34+,37+,38+,39+,40+,41+,42+/m1/s1

HIDE SMILES / InChI

Molecular Formula C42H68N2O2
Molecular Weight 633.0015
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 16
E/Z Centers 2
Optical Activity UNSPECIFIED

Description

Mebolazine is an androgenic anabolic steroid.

Approval Year

PubMed

Substance Class Chemical
Record UNII
69C642I19V
Record Status Validated (UNII)
Record Version