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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H35ClN2O5
Molecular Weight 503.03
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NISTERIME ACETATE

SMILES

[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C\C(=N\OC5=CC=C(C=C5)[N+]([O-])=O)[C@H](Cl)C[C@]34C

InChI

InChIKey=NNFGKFKPLQYECP-BYXNGVTISA-N
InChI=1S/C27H35ClN2O5/c1-16(31)34-25-11-10-21-20-9-4-17-14-24(29-35-19-7-5-18(6-8-19)30(32)33)23(28)15-27(17,3)22(20)12-13-26(21,25)2/h5-8,17,20-23,25H,4,9-15H2,1-3H3/b29-24-/t17-,20-,21-,22-,23+,25-,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H35ClN2O5
Molecular Weight 503.03
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 14:58:28 UTC 2023
Edited
by admin
on Fri Dec 15 14:58:28 UTC 2023
Record UNII
7M1ALD652F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NISTERIME ACETATE
USAN  
USAN  
Official Name English
ANDROSTAN-3-ONE, 17-(ACETYLOXY)-2-CHLORO-, 3-(O-(4-NITROPHENYL)OXIME), (2.ALPHA.,5.ALPHA.,17.BETA.)-
Common Name English
NISTERIME ACETATE [USAN]
Common Name English
ORF 9326
Code English
ORF-9326
Code English
2.ALPHA.-CHLORO-17.BETA.-HYDROXY-5.ALPHA.-ANDROSTAN-3-ONE O-(P-NITROPHENYL)OXIME ACETATE (ESTER)
Common Name English
Code System Code Type Description
WIKIPEDIA
Nisterime acetate
Created by admin on Fri Dec 15 14:58:29 UTC 2023 , Edited by admin on Fri Dec 15 14:58:29 UTC 2023
PRIMARY
NCI_THESAURUS
C167035
Created by admin on Fri Dec 15 14:58:29 UTC 2023 , Edited by admin on Fri Dec 15 14:58:29 UTC 2023
PRIMARY
CAS
51354-31-5
Created by admin on Fri Dec 15 14:58:29 UTC 2023 , Edited by admin on Fri Dec 15 14:58:29 UTC 2023
PRIMARY
PUBCHEM
10006270
Created by admin on Fri Dec 15 14:58:29 UTC 2023 , Edited by admin on Fri Dec 15 14:58:29 UTC 2023
PRIMARY
FDA UNII
7M1ALD652F
Created by admin on Fri Dec 15 14:58:29 UTC 2023 , Edited by admin on Fri Dec 15 14:58:29 UTC 2023
PRIMARY
EPA CompTox
DTXSID60965626
Created by admin on Fri Dec 15 14:58:29 UTC 2023 , Edited by admin on Fri Dec 15 14:58:29 UTC 2023
PRIMARY
ChEMBL
CHEMBL2104712
Created by admin on Fri Dec 15 14:58:29 UTC 2023 , Edited by admin on Fri Dec 15 14:58:29 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY