Cydrin

HCID 40730

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Basic information

CAS: 53317-25-2
Standard SMILES: [Br-].[Br-].[NH3+][C@@H](CSSC[C@H]([NH3+])C(=O)NN(CCCl)CCCl)C(=O)NN(CCCl)CCCl
InChIKey: HMYZDKRQBPHONL-AQEKLAMFSA-N
Molecular formula: C14H30Br2Cl4N6O2S2
Average molar mass: 680.2 g/mol
Monoisotopic mass: 675.89925

Overview

structure

Names & identifiers

Preferred name: Cydrin
IUPAC: [(2R)-3-[[(2R)-2-azaniumyl-3-[2,2-bis(2-chloroethyl)hydrazinyl]-3-oxopropyl]disulfanyl]-1-[2,2-bis(2-chloroethyl)hydrazinyl]-1-oxopropan-2-yl]azanium dibromide

Names & synonyms

CydrinRefChem:130057L-cystine-bis-(N,N-beta-chloroethyl)hydrazide53317-25-2[(2R)-3-[[(2R)-2-azaniumyl-3-[2,2-bis(2-chloroethyl)hydrazinyl]-3-oxopropyl]disulfanyl]-1-[2,2-bis(2-chloroethyl)hydrazinyl]-1-oxopropan-2-yl]azanium;dibromideL-Cystine, bis(2,2-bis(2-chloroethyl)hydrazide), dihydrobromideL-Cystine-bis-(N,N-beta-chloroethyl)-hydrazide-hydrobromideCYSTINE, BIS(N,N-2-CHLOROETHYL)HYDRAZIDE, DIHYDROBROMIDE, L-

Database identifiers

CAS: 53317-25-2
PubChem CID: 40730

Properties

Computed structural properties

Topological polar surface area: 171 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 17
Heavy atoms: 30
Formal charge: 0
Complexity: 395

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