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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO4.ClH
Molecular Weight 339.814
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COCAINE HYDROCHLORIDE

SMILES

Cl.COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)C3=CC=CC=C3)N2C

InChI

InChIKey=PIQVDUKEQYOJNR-VZXSFKIWSA-N
InChI=1S/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14-,15+;/m0./s1

HIDE SMILES / InChI
Molecular Formula C17H21NO4
Molecular Weight 303.3529
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:07:27 UTC 2023
Edited
by admin
on Fri Dec 15 15:07:27 UTC 2023
Record UNII
XH8T8T6WZH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COCAINE HYDROCHLORIDE
EP   MART.   MI   USP   VANDF   WHO-DD  
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(BENZOYLOXY)-8-METHYL-, METHYL ESTER, HYDROCHLORIDE,(1R-(EXO,EXO))-
Common Name English
NUMBRINO
Brand Name English
COCAINE HYDROCHLORIDE [USP MONOGRAPH]
Common Name English
RX-0041-002
Code English
COCAINE HYDROCHLORIDE CII
USP-RS  
Common Name English
Methyl 3β-hydroxy-1αH,5αH-tropan-2β-carboxylate, benzoate (ester) hydrochloride
Common Name English
COCAINUM MURIATICUM
HPUS  
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(BENZOYLOXY)-8-METHYL-, METHYL ESTER, HYDROCHLORIDE (1:1), (1R,2R,3S,5S)-
Systematic Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(BENZOYLOXY)-8-METHYL-, METHYL ESTER, HYDROCHLORIDE, (1R,2R,3S,5S)
Common Name English
COCAINE HYDROCHLORIDE [VANDF]
Common Name English
COCAINE MURIATE
Common Name English
COCAINE HYDROCHLORIDE CII [USP-RS]
Common Name English
Cocaine hydrochloride [WHO-DD]
Common Name English
COCAINUM MURIATICUM [HPUS]
Common Name English
COCAINE HYDROCHLORIDE [ORANGE BOOK]
Common Name English
COCAINE HCL
Common Name English
COCAINE HYDROCHLORIDE [JAN]
Common Name English
GOPRELTO
Brand Name English
NSC-25263
Code English
MCV 4526
Code English
COCAINE HYDROCHLORIDE [MART.]
Common Name English
COCAINE HYDROCHLORIDE [MI]
Common Name English
METHYL (1R,2R,3S,5S)-3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO(3.2.1) OCTANE-2-CARBOXYLATE HYDROCHLORIDE
Systematic Name English
NIH 8211
Code English
COCAINE HYDROCHLORIDE [EP MONOGRAPH]
Common Name English
Classification Tree Code System Code
DEA NO. 9041
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
NCI_THESAURUS C47795
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
Code System Code Type Description
CHEBI
613010
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
PRIMARY
MERCK INDEX
m3710
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
PRIMARY Merck Index
SMS_ID
100000088571
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
PRIMARY
DRUG BANK
DBSALT001521
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
PRIMARY
RS_ITEM_NUM
1143008
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
PRIMARY
EPA CompTox
DTXSID2048903
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
PRIMARY
NCI_THESAURUS
C81016
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
PRIMARY
EVMPD
SUB13417MIG
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
PRIMARY
DAILYMED
XH8T8T6WZH
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
PRIMARY
PUBCHEM
656832
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
PRIMARY
CAS
53-21-4
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
PRIMARY
RXCUI
81985
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
PRIMARY RxNorm
FDA UNII
XH8T8T6WZH
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
PRIMARY
ECHA (EC/EINECS)
200-167-1
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
PRIMARY
NSC
25263
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
PRIMARY
ChEMBL
CHEMBL370805
Created by admin on Fri Dec 15 15:07:27 UTC 2023 , Edited by admin on Fri Dec 15 15:07:27 UTC 2023
PRIMARY
Related Record Type Details
Structure of COCAINE
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of TRUXILLINE, BETA-
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of CINNAMOYLCOCAINE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of TRUXILLINE, ALPHA-
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of COCAINE
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966