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Details

Stereochemistry ACHIRAL
Molecular Formula C16H21Cl2N3O2.ClH.H2O
Molecular Weight 412.739
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENDAMUSTINE HYDROCHLORIDE MONOHYDRATE

SMILES

O.Cl.CN1C(CCCC(O)=O)=NC2=CC(=CC=C12)N(CCCl)CCCl

InChI

InChIKey=TWBJYCLUHINEDN-UHFFFAOYSA-N
InChI=1S/C16H21Cl2N3O2.ClH.H2O/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23;;/h5-6,11H,2-4,7-10H2,1H3,(H,22,23);1H;1H2

HIDE SMILES / InChI
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
Molecular Formula C16H21Cl2N3O2
Molecular Weight 358.263
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula H2O
Molecular Weight 18.0153
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 Sat Dec 16 02:49:12 UTC 2023
Edited
by admin
on Sat Dec 16 02:49:12 UTC 2023
Record UNII
X15906D285
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENDAMUSTINE HYDROCHLORIDE MONOHYDRATE
Common Name English
BENDAMUSTINE HYDROCHLORIDE HYDRATE
Common Name English
Bendamustine hydrochloride monohydrate [WHO-DD]
Common Name English
BENDAMUSTINE HYDROCHLORIDE HYDRATE [JAN]
Common Name English
1H-BENZIMIDAZOLE-2-BUTANOIC ACID, 5-(BIS(2-CHLOROETHYL)AMINO)-1-METHYL-, HYDROCHLORIDE, HYDRATE (1:1:1)
Common Name English
Code System Code Type Description
PUBCHEM
66600935
Created by admin on Sat Dec 16 02:49:12 UTC 2023 , Edited by admin on Sat Dec 16 02:49:12 UTC 2023
PRIMARY
EPA CompTox
DTXSID10160200
Created by admin on Sat Dec 16 02:49:12 UTC 2023 , Edited by admin on Sat Dec 16 02:49:12 UTC 2023
PRIMARY
KEGG
D11661
Created by admin on Sat Dec 16 02:49:12 UTC 2023 , Edited by admin on Sat Dec 16 02:49:12 UTC 2023
PRIMARY
FDA UNII
X15906D285
Created by admin on Sat Dec 16 02:49:12 UTC 2023 , Edited by admin on Sat Dec 16 02:49:12 UTC 2023
PRIMARY
SMS_ID
100000162913
Created by admin on Sat Dec 16 02:49:12 UTC 2023 , Edited by admin on Sat Dec 16 02:49:12 UTC 2023
PRIMARY
EVMPD
SUB176996
Created by admin on Sat Dec 16 02:49:12 UTC 2023 , Edited by admin on Sat Dec 16 02:49:12 UTC 2023
PRIMARY
CAS
1374784-02-7
Created by admin on Sat Dec 16 02:49:12 UTC 2023 , Edited by admin on Sat Dec 16 02:49:12 UTC 2023
PRIMARY
Related Record Type Details
Structure of BENDAMUSTINE
PARENT -> SALT/SOLVATE
Structure of BENDAMUSTINE HYDROCHLORIDE
ANHYDROUS->SOLVATE
Related Record Type Details
Structure of BENDAMUSTINE
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