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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H29NO3
Molecular Weight 343.4607
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYBUTORPHANOL

SMILES

C1CC[C@]2([C@@]3([H])Cc4ccc(cc4[C@]2(C1)CCN3C[C@]5([H])C[C@]([H])(C5)O)O)O

InChI

InChIKey=NCMXKIHJYUFTRL-WGCAESBKSA-N
InChI=1S/C21H29NO3/c23-16-4-3-15-11-19-21(25)6-2-1-5-20(21,18(15)12-16)7-8-22(19)13-14-9-17(24)10-14/h3-4,12,14,17,19,23-25H,1-2,5-11,13H2/t14-,17-,19-,20+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H29NO3
Molecular Weight 343.4607
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 07:36:34 UTC 2021
Edited
by admin
on Sat Jun 26 07:36:34 UTC 2021
Record UNII
0Q4008NELO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROXYBUTORPHANOL
Common Name English
TRANS-HYDROXYBUTORPHANOL
Common Name English
3-HYDROXYBUTORPHANOL
Common Name English
MORPHINAN-3,14-DIOL, 17-((TRANS-3-HYDROXYCYCLOBUTYL)METHYL)-
Systematic Name English
Code System Code Type Description
CAS
75195-49-2
Created by admin on Sat Jun 26 07:36:34 UTC 2021 , Edited by admin on Sat Jun 26 07:36:34 UTC 2021
PRIMARY
FDA UNII
0Q4008NELO
Created by admin on Sat Jun 26 07:36:34 UTC 2021 , Edited by admin on Sat Jun 26 07:36:34 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE